2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide

C11H6Cl2F3N3O2S — CID 146323317

IUPAC2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(=O)n(CC(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H6Cl2F3N3O2S/c12-6-1-5(3-19(9(6)21)4-11(14,15)16)18-8(20)7-2-17-10(13)22-7/h1-3H,4H2,(H,18,20)
InChIKeyLQZFBPSOSFFIEQ-UHFFFAOYSA-N
MW372.16 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide

2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 146323317) has the molecular formula C11H6Cl2F3N3O2S and a molecular weight of 372.16 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID146323317
Molecular FormulaC11H6Cl2F3N3O2S
Molecular Weight372.16 g/mol
Exact Mass370.95
IUPAC Name2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(=O)n(CC(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H6Cl2F3N3O2S/c12-6-1-5(3-19(9(6)21)4-11(14,15)16)18-8(20)7-2-17-10(13)22-7/h1-3H,4H2,(H,18,20)
InChIKeyLQZFBPSOSFFIEQ-UHFFFAOYSA-N
XLogP3.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-cyano-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]-1,3-thiazole-5-carboxamide
CID 146309480
2-cyano-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323132
N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323136
2-chloro-N-(1-ethyl-5-fluoro-6-oxo-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 146323383
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 146323442
2-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323457
2-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323459
N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-cyano-1,3-thiazole-5-carboxamide
CID 146323468
2-chloro-N-[5-fluoro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323473
2-(difluoromethyl)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 146323474
N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 153397919
2-(difluoromethoxy)-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 153397996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide (CID 146323317) is 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide is O=C(Nc1cc(Cl)c(=O)n(CC(F)(F)F)c1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LQZFBPSOSFFIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O2S/c12-6-1-5(3-19(9(6)21)4-11(14,15)16)18-8(20)7-2-17-10(13)22-7/h1-3H,4H2,(H,18,20).
What are the key properties of 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide?
2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.16 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146323317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).