(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C19H17N3O2S2 — CID 9114837

IUPAC(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C19H17N3O2S2/c23-17(15-3-1-10-22(15)19(24)16-4-2-11-25-16)21-14-7-5-13(6-8-14)18-20-9-12-26-18/h2,4-9,11-12,15H,1,3,10H2,(H,21,23)/t15-/m0/s1
InChIKeyZBKLUTVFUQBCJZ-HNNXBMFYSA-N
MW383.50 g/mol
LogP4.11
Rot. Bonds4

About (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 9114837) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID9114837
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C19H17N3O2S2/c23-17(15-3-1-10-22(15)19(24)16-4-2-11-25-16)21-14-7-5-13(6-8-14)18-20-9-12-26-18/h2,4-9,11-12,15H,1,3,10H2,(H,21,23)/t15-/m0/s1
InChIKeyZBKLUTVFUQBCJZ-HNNXBMFYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25334740
2-methyl-3-[4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]propanoic acid
CID 120540851
(2S)-N-(3,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 1203465
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
N-[4-(methylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86922399
N-[4-(difluoromethylsulfanyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 78773608
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-[4-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78887255

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 9114837) is (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ZBKLUTVFUQBCJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c23-17(15-3-1-10-22(15)19(24)16-4-2-11-25-16)21-14-7-5-13(6-8-14)18-20-9-12-26-18/h2,4-9,11-12,15H,1,3,10H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 9114837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).