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

C16H17N3O3S — CID 2964458

IUPAC1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2nccs2)CC1=O
InChIInChI=1S/C16H17N3O3S/c1-2-22-13-6-4-3-5-12(13)19-10-11(9-14(19)20)15(21)18-16-17-7-8-23-16/h3-8,11H,2,9-10H2,1H3,(H,17,18,21)
InChIKeyXZGKVNRECRFYHV-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.53
Rot. Bonds5

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

1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 2964458) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID2964458
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)Nc2nccs2)CC1=O
InChIInChI=1S/C16H17N3O3S/c1-2-22-13-6-4-3-5-12(13)19-10-11(9-14(19)20)15(21)18-16-17-7-8-23-16/h3-8,11H,2,9-10H2,1H3,(H,17,18,21)
InChIKeyXZGKVNRECRFYHV-UHFFFAOYSA-N
XLogP2.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 2964458) is 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)Nc2nccs2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is XZGKVNRECRFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-22-13-6-4-3-5-12(13)19-10-11(9-14(19)20)15(21)18-16-17-7-8-23-16/h3-8,11H,2,9-10H2,1H3,(H,17,18,21).
What are the key properties of 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2964458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).