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

C15H15N3O2S — CID 2883198

IUPAC1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-2-4-12(5-3-10)18-9-11(8-13(18)19)14(20)17-15-16-6-7-21-15/h2-7,11H,8-9H2,1H3,(H,16,17,20)
InChIKeyMUGRRXQPIOMWEL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.44
Rot. Bonds3

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

1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 2883198) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID2883198
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C15H15N3O2S/c1-10-2-4-12(5-3-10)18-9-11(8-13(18)19)14(20)17-15-16-6-7-21-15/h2-7,11H,8-9H2,1H3,(H,16,17,20)
InChIKeyMUGRRXQPIOMWEL-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 2883198) is 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is MUGRRXQPIOMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-2-4-12(5-3-10)18-9-11(8-13(18)19)14(20)17-15-16-6-7-21-15/h2-7,11H,8-9H2,1H3,(H,16,17,20).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2883198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).