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

C7H7F3N2OS — CID 121264029

IUPACN-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS/c1-2-11-5(13)4-3-14-6(12-4)7(8,9)10/h3H,2H2,1H3,(H,11,13)
InChIKeyRHEYMWXAHWIJEP-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.91
Rot. Bonds2

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

N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 121264029) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID121264029
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC NameN-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS/c1-2-11-5(13)4-3-14-6(12-4)7(8,9)10/h3H,2H2,1H3,(H,11,13)
InChIKeyRHEYMWXAHWIJEP-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 121264029) is N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RHEYMWXAHWIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-2-11-5(13)4-3-14-6(12-4)7(8,9)10/h3H,2H2,1H3,(H,11,13).
What are the key properties of N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121264029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).