N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C13H9N3O2S3 — CID 51248246

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2csc(-c3ccsc3)n2)n1
InChIInChI=1S/C13H9N3O2S3/c1-7(17)9-5-21-13(15-9)16-11(18)10-6-20-12(14-10)8-2-3-19-4-8/h2-6H,1H3,(H,15,16,18)
InChIKeyGNHBKWVKCZUSRO-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.78
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 51248246) has the molecular formula C13H9N3O2S3 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID51248246
Molecular FormulaC13H9N3O2S3
Molecular Weight335.44 g/mol
Exact Mass334.99
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2csc(-c3ccsc3)n2)n1
InChIInChI=1S/C13H9N3O2S3/c1-7(17)9-5-21-13(15-9)16-11(18)10-6-20-12(14-10)8-2-3-19-4-8/h2-6H,1H3,(H,15,16,18)
InChIKeyGNHBKWVKCZUSRO-UHFFFAOYSA-N
XLogP3.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 18089607
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36662741
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 51248246) is N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CC(=O)c1csc(NC(=O)c2csc(-c3ccsc3)n2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GNHBKWVKCZUSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S3/c1-7(17)9-5-21-13(15-9)16-11(18)10-6-20-12(14-10)8-2-3-19-4-8/h2-6H,1H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 335.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51248246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).