Details of the Drug

General Information of Drug (ID: DM60AJ2)

Drug Name

2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE

Synonyms

31609-42-4; 2-Phenylamino-4-Methyl-5-Acetyl Thiazole; 5-acetyl-4-methyl-2-(phenylamino)thiazole; 2-phenylamino-4-methyl-5-acetylthiazole; CHEMBL1235108; 1-(4-Methyl-2-(phenylamino)thiazol-5-yl)ethanone; 5-Acetyl-4-methyl-2-(phenylamino)-1,3-thiazole; 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)ethanone; Ethanone,1-[4-methyl-2-(phenylamino)-5-thiazolyl]-; 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone; 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethan-1-one; 5-acetyl-4-methyl-2-phenylamino-thiazole; 2vba; AC1LEGRW

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

232.3

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C12H12N2OS
IUPAC Name: 1-(2-anilino-4-methyl-1,3-thiazol-5-yl)ethanone
Canonical SMILES: CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)C
InChI: InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)
InChIKey: UIIUOFPGDKBCEZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 735838
CAS Number: 31609-42-4
DrugBank ID: DB08359
TTD ID: D0V1EK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium 3-oxoacyl-[acyl-carrier-protein] synthase 1 (MycB kasA)	TTPH97Y	FAB1_MYCTU	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.