1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C15H15N3O3S — CID 2947457

IUPAC1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C15H15N3O3S/c1-21-12-4-2-11(3-5-12)18-9-10(8-13(18)19)14(20)17-15-16-6-7-22-15/h2-7,10H,8-9H2,1H3,(H,16,17,20)
InChIKeyHJKZRLHKYLOISI-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 2947457) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID2947457
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C15H15N3O3S/c1-21-12-4-2-11(3-5-12)18-9-10(8-13(18)19)14(20)17-15-16-6-7-22-15/h2-7,10H,8-9H2,1H3,(H,16,17,20)
InChIKeyHJKZRLHKYLOISI-UHFFFAOYSA-N
XLogP2.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 2947457) is 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is HJKZRLHKYLOISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-21-12-4-2-11(3-5-12)18-9-10(8-13(18)19)14(20)17-15-16-6-7-22-15/h2-7,10H,8-9H2,1H3,(H,16,17,20).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2947457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).