3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide

C6H7F3N2OS — CID 91410013

IUPAC3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide
SMILESNC(=O)C1SC=CN1CC(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)3-11-1-2-13-5(11)4(10)12/h1-2,5H,3H2,(H2,10,12)
InChIKeyPIMZUHAUMKYXIO-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.88
Rot. Bonds2

About 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide

3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide (PubChem CID 91410013) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide
PubChem CID91410013
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide
SMILESNC(=O)C1SC=CN1CC(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)3-11-1-2-13-5(11)4(10)12/h1-2,5H,3H2,(H2,10,12)
InChIKeyPIMZUHAUMKYXIO-UHFFFAOYSA-N
XLogP0.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide (CID 91410013) is 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide is NC(=O)C1SC=CN1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide?
The InChIKey is PIMZUHAUMKYXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)3-11-1-2-13-5(11)4(10)12/h1-2,5H,3H2,(H2,10,12).
What are the key properties of 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide?
3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide has a molecular weight of 212.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-2H-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 91410013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).