2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C19H16N4OS2 — CID 1211247

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H16N4OS2/c1-12-6-8-13(9-7-12)16-10-25-19(22-16)23-17(24)11-26-18-20-14-4-2-3-5-15(14)21-18/h2-10H,11H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyXFMNFWGLEHWVMX-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.73
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1211247) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1211247
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H16N4OS2/c1-12-6-8-13(9-7-12)16-10-25-19(22-16)23-17(24)11-26-18-20-14-4-2-3-5-15(14)21-18/h2-10H,11H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyXFMNFWGLEHWVMX-UHFFFAOYSA-N
XLogP4.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide 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-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039
2-((1H-benzo[d]imidazol-2-yl)thio)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 742081
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine
CID 767910
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 15354307
4-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 22633548
(S)-N-(1-(1-(3-(4-(4-p-tolylthiazol-2-yl)piperazin-1-yl)propyl)-1H-benzo[d]imidazol-2-yl)ethyl)acetamide
CID 24819709
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(2-methylphenyl)-
CID 207450
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(2,4,6-trimethylphenyl)-
CID 54997
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-methylphenyl)-
CID 207451
2-(1H-benzimidazol-2-ylthio)-1-(2,3-dimethyl-1-indolyl)ethanone
CID 704124
2-(1H-benzimidazol-2-ylthio)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 766872
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1080938

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 1211247) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XFMNFWGLEHWVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-12-6-8-13(9-7-12)16-10-25-19(22-16)23-17(24)11-26-18-20-14-4-2-3-5-15(14)21-18/h2-10H,11H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 380.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1211247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).