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

C13H12FN5O2S — CID 166024350

IUPAC2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
SMILESN#Cc1cc(NC(=O)C2CNC(C#N)S2)cn(CCF)c1=O
InChIInChI=1S/C13H12FN5O2S/c14-1-2-19-7-9(3-8(4-15)13(19)21)18-12(20)10-6-17-11(5-16)22-10/h3,7,10-11,17H,1-2,6H2,(H,18,20)
InChIKeyNGEFCINNZDTLIN-UHFFFAOYSA-N
MW321.34 g/mol
LogP0.18
Rot. Bonds4

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

2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide (PubChem CID 166024350) has the molecular formula C13H12FN5O2S and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
PubChem CID166024350
Molecular FormulaC13H12FN5O2S
Molecular Weight321.34 g/mol
Exact Mass321.07
IUPAC Name2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
SMILESN#Cc1cc(NC(=O)C2CNC(C#N)S2)cn(CCF)c1=O
InChIInChI=1S/C13H12FN5O2S/c14-1-2-19-7-9(3-8(4-15)13(19)21)18-12(20)10-6-17-11(5-16)22-10/h3,7,10-11,17H,1-2,6H2,(H,18,20)
InChIKeyNGEFCINNZDTLIN-UHFFFAOYSA-N
XLogP0.18
TPSA110.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-chloro-5-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1-methylpyrrolidine-2-carboxamide
CID 166024255
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide
CID 166024385
5-acetamido-4-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024240
4-chloro-5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024139
5-chloro-4-[2-(4-chlorocyclohexyl)ethynyl]-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiolane-2-carboxamide
CID 166024321
4-chloro-N-[1-(2,2-difluoroethyl)-5-(1-methylimidazolidin-2-yl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiolane-2-carboxamide
CID 166024092
N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 167347020
5-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-4-[2-(3-hydroxycyclobutyl)ethynyl]thiophene-2-carboxamide
CID 146323401
(2S)-N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]azetidine-2-carboxamide
CID 118735781
N-[4-(3-cyano-1-ethylindol-5-yl)oxyphenyl]azetidine-2-carboxamide
CID 167346989
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
The IUPAC name of 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide (CID 166024350) is 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide.
What is the SMILES notation for 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
The canonical SMILES for 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide is N#Cc1cc(NC(=O)C2CNC(C#N)S2)cn(CCF)c1=O.
What is the InChIKey of 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
The InChIKey is NGEFCINNZDTLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2S/c14-1-2-19-7-9(3-8(4-15)13(19)21)18-12(20)10-6-17-11(5-16)22-10/h3,7,10-11,17H,1-2,6H2,(H,18,20).
What are the key properties of 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide?
2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-cyano-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazolidine-5-carboxamide is sourced from PubChem (CID 166024350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).