1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C15H13F2N3O2S — CID 60564340

IUPAC1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CC(=O)N(c3cc(F)cc(F)c3)C2)n1
InChIInChI=1S/C15H13F2N3O2S/c1-8-7-23-15(18-8)19-14(22)9-2-13(21)20(6-9)12-4-10(16)3-11(17)5-12/h3-5,7,9H,2,6H2,1H3,(H,18,19,22)
InChIKeyZKBXMUCZAAVFEF-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.72
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60564340) has the molecular formula C15H13F2N3O2S and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60564340
Molecular FormulaC15H13F2N3O2S
Molecular Weight337.35 g/mol
Exact Mass337.07
IUPAC Name1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CC(=O)N(c3cc(F)cc(F)c3)C2)n1
InChIInChI=1S/C15H13F2N3O2S/c1-8-7-23-15(18-8)19-14(22)9-2-13(21)20(6-9)12-4-10(16)3-11(17)5-12/h3-5,7,9H,2,6H2,1H3,(H,18,19,22)
InChIKeyZKBXMUCZAAVFEF-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 60564340) is 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1csc(NC(=O)C2CC(=O)N(c3cc(F)cc(F)c3)C2)n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZKBXMUCZAAVFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S/c1-8-7-23-15(18-8)19-14(22)9-2-13(21)20(6-9)12-4-10(16)3-11(17)5-12/h3-5,7,9H,2,6H2,1H3,(H,18,19,22).
What are the key properties of 1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(3,5-difluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 2.72, 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)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60564340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).