2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide

C12H13F4N3O2S — CID 166024385

IUPAC2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1CNC(C(F)F)S1
InChIInChI=1S/C12H13F4N3O2S/c13-1-2-19-5-6(3-7(14)12(19)21)18-10(20)8-4-17-11(22-8)9(15)16/h3,5,8-9,11,17H,1-2,4H2,(H,18,20)
InChIKeyPNUUZYPHXBMQFO-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.19
Rot. Bonds5

About 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide

2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide (PubChem CID 166024385) has the molecular formula C12H13F4N3O2S and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
PubChem CID166024385
Molecular FormulaC12H13F4N3O2S
Molecular Weight339.31 g/mol
Exact Mass339.07
IUPAC Name2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)C1CNC(C(F)F)S1
InChIInChI=1S/C12H13F4N3O2S/c13-1-2-19-5-6(3-7(14)12(19)21)18-10(20)8-4-17-11(22-8)9(15)16/h3,5,8-9,11,17H,1-2,4H2,(H,18,20)
InChIKeyPNUUZYPHXBMQFO-UHFFFAOYSA-N
XLogP1.19
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide with MolForge

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Related Compounds

N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-methylsulfonylthiolane-2-carboxamide
CID 166024375
2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
CID 166024350
5-acetamido-4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024240
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-methylsulfanylthiolane-2-carboxamide
CID 166024073
4-chloro-5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024139
2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide
CID 166024364
5-chloro-4-[2-(4-chlorocyclohexyl)ethynyl]-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024321
2-bromo-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-oxazole-5-carboxamide
CID 167618481
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 167627100
4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-sulfamoylthiophene-2-carboxamide
CID 167631207
tert-butyl 3-[2-[2-chloro-5-[[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]carbamoyl]thiolan-3-yl]ethynyl]azetidine-1-carboxylate
CID 166024112
4-chloro-N-[1-(2,2-difluoroethyl)-5-(1-methylimidazolidin-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiolane-2-carboxamide
CID 166024092

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide (CID 166024385) is 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)C1CNC(C(F)F)S1.
What is the InChIKey of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
The InChIKey is PNUUZYPHXBMQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O2S/c13-1-2-19-5-6(3-7(14)12(19)21)18-10(20)8-4-17-11(22-8)9(15)16/h3,5,8-9,11,17H,1-2,4H2,(H,18,20).
What are the key properties of 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide is sourced from PubChem (CID 166024385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).