1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

C15H10F5N3O2S — CID 163254884

IUPAC1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)s1)C1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H10F5N3O2S/c16-8-2-9(17)4-10(3-8)23-6-7(1-12(23)24)13(25)22-14-21-5-11(26-14)15(18,19)20/h2-5,7H,1,6H2,(H,21,22,25)
InChIKeyXGKMPDJZPJDHML-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.43
Rot. Bonds3

About 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 163254884) has the molecular formula C15H10F5N3O2S and a molecular weight of 391.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID163254884
Molecular FormulaC15H10F5N3O2S
Molecular Weight391.32 g/mol
Exact Mass391.04
IUPAC Name1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)s1)C1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H10F5N3O2S/c16-8-2-9(17)4-10(3-8)23-6-7(1-12(23)24)13(25)22-14-21-5-11(26-14)15(18,19)20/h2-5,7H,1,6H2,(H,21,22,25)
InChIKeyXGKMPDJZPJDHML-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 163254891
1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 60564340
(3S)-1-(3,5-difluorophenyl)-5-oxo-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 52528075
1-(3,5-difluorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 86843582
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
tert-butyl N-[2-[[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-fluorophenyl]carbamate
CID 56571412
5-oxo-N-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 17456684
1-(3,5-difluorophenyl)-5-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55996075
1-(3,5-dimethylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17120874
1-(3-bromophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90603521
(3R)-1-(4-methylphenyl)-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7462526

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (CID 163254884) is 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is O=C(Nc1ncc(C(F)(F)F)s1)C1CC(=O)N(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is XGKMPDJZPJDHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O2S/c16-8-2-9(17)4-10(3-8)23-6-7(1-12(23)24)13(25)22-14-21-5-11(26-14)15(18,19)20/h2-5,7H,1,6H2,(H,21,22,25).
What are the key properties of 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 391.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-5-oxo-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 163254884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).