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

C7H7F3N2O2S — CID 23053866

IUPACN-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCO)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6-12-4(3-15-6)5(14)11-1-2-13/h3,13H,1-2H2,(H,11,14)
InChIKeyNLAZSUKWHNQFQD-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.88
Rot. Bonds3

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

N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 23053866) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID23053866
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC NameN-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCO)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2S/c8-7(9,10)6-12-4(3-15-6)5(14)11-1-2-13/h3,13H,1-2H2,(H,11,14)
InChIKeyNLAZSUKWHNQFQD-UHFFFAOYSA-N
XLogP0.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 23053866) is N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is O=C(NCCO)c1csc(C(F)(F)F)n1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NLAZSUKWHNQFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c8-7(9,10)6-12-4(3-15-6)5(14)11-1-2-13/h3,13H,1-2H2,(H,11,14).
What are the key properties of N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 240.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23053866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).