Details of the Drug

General Information of Drug (ID: DMPA91F)

Drug Name

N-(4-Phenyl-thiazol-2-yl)-benzamide

Synonyms

CHEMBL60334; N-(4-phenyl-1,3-thiazol-2-yl)benzamide; N-(4-Phenyl-thiazol-2-yl)-benzamide; 14269-45-5; N-(4-phenylthiazol-2-yl)benzamide; Enamine_004302; AC1LF3YD; AC1Q5LQ8; Cambridge id 5149845; Oprea1_016303; Oprea1_462006; Oprea1_007140; CBDivE_004384; SCHEMBL1270375; SCHEMBL18874193; CTK0F0159; DTXSID10353610; MolPort-000-432-183; HMS1406D12; 2-(Benzoylamino)-4-phenylthiazole; ZINC18022084; BDBM50101790; STK972349; STK337540; AKOS002233837; AKOS000478692; MCULE-8414212509; Benzamide, N-(4-phenyl-2-thiazolyl)-; NCGC00262409-01; BAS 0

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

280.3

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H12N2OS
IUPAC Name: N-(4-phenyl-1,3-thiazol-2-yl)benzamide
Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3
InChI: InChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-14(11-20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
InChIKey: NIRMZOKDACPPER-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 746475
CAS Number: 14269-45-5
TTD ID: D00JXL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Substituted 4-phenyl-2-(phenylcarboxamido)-1,3-thiazole derivatives as antagonists for the adenosine A(1) receptor. Bioorg Med Chem Lett. 2001 Aug 6;11(15):2017-9.