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

C14H13N3O2S — CID 2883662

IUPAC5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H13N3O2S/c18-12-8-10(13(19)16-14-15-6-7-20-14)9-17(12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,16,19)
InChIKeyJMLNWNDPNXTGTR-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.13
Rot. Bonds3

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

5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 2883662) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID2883662
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C14H13N3O2S/c18-12-8-10(13(19)16-14-15-6-7-20-14)9-17(12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,16,19)
InChIKeyJMLNWNDPNXTGTR-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 2883662) is 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is JMLNWNDPNXTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-12-8-10(13(19)16-14-15-6-7-20-14)9-17(12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,15,16,19).
What are the key properties of 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2883662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).