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

C5H3F3N2OS — CID 68572341

IUPAC2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N2OS/c6-5(7,8)4-10-2(1-12-4)3(9)11/h1H,(H2,9,11)
InChIKeyADXOOKWTHBDCCQ-UHFFFAOYSA-N
MW196.15 g/mol
LogP1.26
Rot. Bonds1

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

2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 68572341) has the molecular formula C5H3F3N2OS and a molecular weight of 196.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID68572341
Molecular FormulaC5H3F3N2OS
Molecular Weight196.15 g/mol
Exact Mass195.99
IUPAC Name2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C5H3F3N2OS/c6-5(7,8)4-10-2(1-12-4)3(9)11/h1H,(H2,9,11)
InChIKeyADXOOKWTHBDCCQ-UHFFFAOYSA-N
XLogP1.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 68572341) is 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ADXOOKWTHBDCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2OS/c6-5(7,8)4-10-2(1-12-4)3(9)11/h1H,(H2,9,11).
What are the key properties of 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 196.15 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68572341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).