5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C14H13N3O2S — CID 168698569

IUPAC5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncc(-c3ccccc3)s2)C1
InChIInChI=1S/C14H13N3O2S/c15-13(19)10-6-12(18)17(8-10)14-16-7-11(20-14)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H2,15,19)
InChIKeyPQJYRLORGAMJBW-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.65
Rot. Bonds3

About 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 168698569) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID168698569
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncc(-c3ccccc3)s2)C1
InChIInChI=1S/C14H13N3O2S/c15-13(19)10-6-12(18)17(8-10)14-16-7-11(20-14)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H2,15,19)
InChIKeyPQJYRLORGAMJBW-UHFFFAOYSA-N
XLogP1.65
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(5-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 136582885
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697095
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698501
1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697091
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-[5-(3-methylsulfanylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 67452061
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-iodobenzoic acid
CID 168697535
(3R)-1-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1,3-dicarboxamide
CID 94153836
5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
CID 168698348
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 168698569) is 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ncc(-c3ccccc3)s2)C1.
What is the InChIKey of 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is PQJYRLORGAMJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-13(19)10-6-12(18)17(8-10)14-16-7-11(20-14)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H2,15,19).
What are the key properties of 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168698569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).