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

C6H5F3N2OS — CID 83406108

IUPACN-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1nccs1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)3-11-4(12)5-10-1-2-13-5/h1-2H,3H2,(H,11,12)
InChIKeyOZVNQAHOPLVVSW-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.44
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (PubChem CID 83406108) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
PubChem CID83406108
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC NameN-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
SMILESO=C(NCC(F)(F)F)c1nccs1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)3-11-4(12)5-10-1-2-13-5/h1-2H,3H2,(H,11,12)
InChIKeyOZVNQAHOPLVVSW-UHFFFAOYSA-N
XLogP1.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide (CID 83406108) is N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is O=C(NCC(F)(F)F)c1nccs1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is OZVNQAHOPLVVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c7-6(8,9)3-11-4(12)5-10-1-2-13-5/h1-2H,3H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide?
N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 210.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 83406108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).