5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide

C6H3F3N2O2S — CID 67326514

IUPAC5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)2-1-11-5(14-2)4(10)13/h1H,(H2,10,13)
InChIKeyWPPLSPVFUUZNLW-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.99
Rot. Bonds2

About 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide

5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide (PubChem CID 67326514) has the molecular formula C6H3F3N2O2S and a molecular weight of 224.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide
PubChem CID67326514
Molecular FormulaC6H3F3N2O2S
Molecular Weight224.16 g/mol
Exact Mass223.99
IUPAC Name5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)2-1-11-5(14-2)4(10)13/h1H,(H2,10,13)
InChIKeyWPPLSPVFUUZNLW-UHFFFAOYSA-N
XLogP0.99
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Chloro-1,3-thiazol-5-yl)-2,2-difluoroethan-1-one
CID 165972733
2,2,2-Trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 57620089
1-[2-(2,2,2-Trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 62652804
2-(2,2,2-Trifluoroacetyl)-1,3-thiazole-5-carboxamide
CID 67315665
2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 69192063
1-(2-(Trifluoromethyl)thiazol-5-yl)ethanone
CID 72214632
2,2-Difluoro-1-(1,3-thiazol-5-yl)ethan-1-one
CID 87864891
Carbanide;2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethanone;tungsten
CID 161822031
Ethane;1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 170758118
1-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]ethanone
CID 79964750
1-(2-(Difluoromethyl)thiazol-5-yl)ethan-1-one
CID 84767281
1-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 84771796

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide (CID 67326514) is 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide is NC(=O)c1ncc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
The InChIKey is WPPLSPVFUUZNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)2-1-11-5(14-2)4(10)13/h1H,(H2,10,13).
What are the key properties of 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide has a molecular weight of 224.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67326514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).