1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide

C13H13N3O2S2 — CID 75538089

IUPAC1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2nccs2)C1c1cccs1
InChIInChI=1S/C13H13N3O2S2/c1-16-10(17)7-8(11(16)9-3-2-5-19-9)12(18)15-13-14-4-6-20-13/h2-6,8,11H,7H2,1H3,(H,14,15,18)
InChIKeyDILFRROBFHQRDF-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.36
Rot. Bonds3

About 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide

1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 75538089) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID75538089
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCN1C(=O)CC(C(=O)Nc2nccs2)C1c1cccs1
InChIInChI=1S/C13H13N3O2S2/c1-16-10(17)7-8(11(16)9-3-2-5-19-9)12(18)15-13-14-4-6-20-13/h2-6,8,11H,7H2,1H3,(H,14,15,18)
InChIKeyDILFRROBFHQRDF-UHFFFAOYSA-N
XLogP2.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 9117303
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
methyl 1,5-dimethyl-4-[(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]pyrazole-3-carboxylate
CID 110280725
(2S,3R)-1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97457005
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 75538102
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
(2S,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 97457767
2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
1-methyl-5-oxo-2-thiophen-2-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 91947429

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 75538089) is 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide is CN1C(=O)CC(C(=O)Nc2nccs2)C1c1cccs1.
What is the InChIKey of 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is DILFRROBFHQRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-16-10(17)7-8(11(16)9-3-2-5-19-9)12(18)15-13-14-4-6-20-13/h2-6,8,11H,7H2,1H3,(H,14,15,18).
What are the key properties of 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 75538089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).