(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide

C19H17N3O2S2 — CID 9117303

IUPAC(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nccs3)[C@H]2c2cccs2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-12-4-6-13(7-5-12)22-16(23)11-14(17(22)15-3-2-9-25-15)18(24)21-19-20-8-10-26-19/h2-10,14,17H,11H2,1H3,(H,20,21,24)/t14-,17+/m1/s1
InChIKeyRZIHPIJKJGCUCT-PBHICJAKSA-N
MW383.50 g/mol
LogP4.25
Rot. Bonds4

About (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide

(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 9117303) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID9117303
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nccs3)[C@H]2c2cccs2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-12-4-6-13(7-5-12)22-16(23)11-14(17(22)15-3-2-9-25-15)18(24)21-19-20-8-10-26-19/h2-10,14,17H,11H2,1H3,(H,20,21,24)/t14-,17+/m1/s1
InChIKeyRZIHPIJKJGCUCT-PBHICJAKSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
N-(4-methoxy-3-pyridinyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86874286
1-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 86892074
(2S,3S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 26908261
N-(4-carbamoyl-3-methylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 56516973
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 47023701
1-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55822927
N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 55380770
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 42905931
(2S,3S)-N-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 2557865
(2R,3S)-N-[(2S)-1-cyanopropan-2-yl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 52536685

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 9117303) is (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide is Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nccs3)[C@H]2c2cccs2)cc1.
What is the InChIKey of (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is RZIHPIJKJGCUCT-PBHICJAKSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-12-4-6-13(7-5-12)22-16(23)11-14(17(22)15-3-2-9-25-15)18(24)21-19-20-8-10-26-19/h2-10,14,17H,11H2,1H3,(H,20,21,24)/t14-,17+/m1/s1.
What are the key properties of (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9117303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).