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

C6H3F3N2O2S — CID 67315665

IUPAC2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)5-11-1-2(14-5)4(10)13/h1H,(H2,10,13)
InChIKeyPOKAFYQGVCSJDE-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.99
Rot. Bonds2

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

2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide (PubChem CID 67315665) has the molecular formula C6H3F3N2O2S and a molecular weight of 224.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide
PubChem CID67315665
Molecular FormulaC6H3F3N2O2S
Molecular Weight224.16 g/mol
Exact Mass223.99
IUPAC Name2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)5-11-1-2(14-5)4(10)13/h1H,(H2,10,13)
InChIKeyPOKAFYQGVCSJDE-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide (CID 67315665) is 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
The InChIKey is POKAFYQGVCSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)5-11-1-2(14-5)4(10)13/h1H,(H2,10,13).
What are the key properties of 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide?
2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-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 2-(2,2,2-trifluoroacetyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67315665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).