4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide

C6H3F3N2O2S — CID 67326663

IUPAC4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(C(=O)C(F)(F)F)cs1
InChIInChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)2-1-14-5(11-2)4(10)13/h1H,(H2,10,13)
InChIKeyZVYKVHMEWWJADA-UHFFFAOYSA-N
MW224.16 g/mol
LogP0.99
Rot. Bonds2

About 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide

4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide (PubChem CID 67326663) has the molecular formula C6H3F3N2O2S and a molecular weight of 224.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide
PubChem CID67326663
Molecular FormulaC6H3F3N2O2S
Molecular Weight224.16 g/mol
Exact Mass223.99
IUPAC Name4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(C(=O)C(F)(F)F)cs1
InChIInChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)2-1-14-5(11-2)4(10)13/h1H,(H2,10,13)
InChIKeyZVYKVHMEWWJADA-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 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide (CID 67326663) is 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide is NC(=O)c1nc(C(=O)C(F)(F)F)cs1.
What is the InChIKey of 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
The InChIKey is ZVYKVHMEWWJADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2S/c7-6(8,9)3(12)2-1-14-5(11-2)4(10)13/h1H,(H2,10,13).
What are the key properties of 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide?
4-(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 4-(2,2,2-trifluoroacetyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67326663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).