(3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C19H22N4O2S2 — CID 8899891

IUPAC(3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc(SCc2ccccc2)ns1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H22N4O2S2/c24-16-10-14(11-23(16)15-8-4-5-9-15)17(25)20-18-21-19(22-27-18)26-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21,22,25)/t14-/m0/s1
InChIKeyJCYZLKUQIBGPRD-AWEZNQCLSA-N
MW402.55 g/mol
LogP3.56
Rot. Bonds6

About (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 8899891) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID8899891
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name(3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc(SCc2ccccc2)ns1)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H22N4O2S2/c24-16-10-14(11-23(16)15-8-4-5-9-15)17(25)20-18-21-19(22-27-18)26-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21,22,25)/t14-/m0/s1
InChIKeyJCYZLKUQIBGPRD-AWEZNQCLSA-N
XLogP3.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-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-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122086950
1-cyclohexyl-5-oxo-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17321668
(3S)-1-cyclopentyl-5-oxo-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 7438452
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
N-(1-benzylpyrazol-4-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55983153
2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240650
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119136689
(3R)-1-cyclopentyl-5-oxo-N-(5-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 97082967

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 8899891) is (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nc(SCc2ccccc2)ns1)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JCYZLKUQIBGPRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c24-16-10-14(11-23(16)15-8-4-5-9-15)17(25)20-18-21-19(22-27-18)26-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2,(H,20,21,22,25)/t14-/m0/s1.
What are the key properties of (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8899891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).