1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide

C16H15FN4O3S — CID 42655612

IUPAC1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)Nc1nccs1
InChIInChI=1S/C16H15FN4O3S/c17-11-1-3-12(4-2-11)21-9-10(7-14(21)23)15(24)19-8-13(22)20-16-18-5-6-25-16/h1-6,10H,7-9H2,(H,19,24)(H,18,20,22)
InChIKeyZFURNZGJGHPYSP-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.39
Rot. Bonds5

About 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide

1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 42655612) has the molecular formula C16H15FN4O3S and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID42655612
Molecular FormulaC16H15FN4O3S
Molecular Weight362.39 g/mol
Exact Mass362.08
IUPAC Name1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)Nc1nccs1
InChIInChI=1S/C16H15FN4O3S/c17-11-1-3-12(4-2-11)21-9-10(7-14(21)23)15(24)19-8-13(22)20-16-18-5-6-25-16/h1-6,10H,7-9H2,(H,19,24)(H,18,20,22)
InChIKeyZFURNZGJGHPYSP-UHFFFAOYSA-N
XLogP1.39
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 42569786
1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]pyrrolidine-3-carboxamide
CID 42654766
(3R)-N-[2-(2-bromoanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39342065
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-[2-(3-acetylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655979
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187
1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 45495588
(3R)-1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 39041149
(3R)-N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39341475
1-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 42654346
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 42655612) is 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide is O=C(CNC(=O)C1CC(=O)N(c2ccc(F)cc2)C1)Nc1nccs1.
What is the InChIKey of 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZFURNZGJGHPYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3S/c17-11-1-3-12(4-2-11)21-9-10(7-14(21)23)15(24)19-8-13(22)20-16-18-5-6-25-16/h1-6,10H,7-9H2,(H,19,24)(H,18,20,22).
What are the key properties of 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42655612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).