1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C16H17N3O2S2 — CID 78864863

IUPAC1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCSc1ccc(C(=O)N2CCCC2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H17N3O2S2/c1-22-12-6-4-11(5-7-12)15(21)19-9-2-3-13(19)14(20)18-16-17-8-10-23-16/h4-8,10,13H,2-3,9H2,1H3,(H,17,18,20)
InChIKeyZQNDWPNFUZSIIT-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.11
Rot. Bonds4

About 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 78864863) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID78864863
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCSc1ccc(C(=O)N2CCCC2C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H17N3O2S2/c1-22-12-6-4-11(5-7-12)15(21)19-9-2-3-13(19)14(20)18-16-17-8-10-23-16/h4-8,10,13H,2-3,9H2,1H3,(H,17,18,20)
InChIKeyZQNDWPNFUZSIIT-UHFFFAOYSA-N
XLogP3.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-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

1-[4-(2-methylpropanoylamino)benzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55669534
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576503
(2S)-1-(3-ethoxybenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94604846
1-[4-(4-acetylpiperazin-1-yl)-3-nitrobenzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670396
(2S)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935113
(2R)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935112
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55872324
1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 86818508
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772
(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 51942518

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 78864863) is 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CSc1ccc(C(=O)N2CCCC2C(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZQNDWPNFUZSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-22-12-6-4-11(5-7-12)15(21)19-9-2-3-13(19)14(20)18-16-17-8-10-23-16/h4-8,10,13H,2-3,9H2,1H3,(H,17,18,20).
What are the key properties of 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78864863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).