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

C16H17N3O2S — CID 648907

IUPAC1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-11-3-5-13(6-4-11)19-10-12(9-14(19)20)15(21)18-16-17-7-8-22-16/h3-8,12H,2,9-10H2,1H3,(H,17,18,21)
InChIKeyFMCWZTNHGGJFFJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.70
Rot. Bonds4

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

1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 648907) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID648907
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C16H17N3O2S/c1-2-11-3-5-13(6-4-11)19-10-12(9-14(19)20)15(21)18-16-17-7-8-22-16/h3-8,12H,2,9-10H2,1H3,(H,17,18,21)
InChIKeyFMCWZTNHGGJFFJ-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 648907) is 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is FMCWZTNHGGJFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-11-3-5-13(6-4-11)19-10-12(9-14(19)20)15(21)18-16-17-7-8-22-16/h3-8,12H,2,9-10H2,1H3,(H,17,18,21).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 648907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).