N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C9H11F3N2O2S — CID 103915432

IUPACN-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-4-7(17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyROHNXVVBZHDVOL-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.45
Rot. Bonds4

About N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 103915432) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID103915432
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N(CCO)CC(F)(F)F)s1
InChIInChI=1S/C9H11F3N2O2S/c1-6-13-4-7(17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3
InChIKeyROHNXVVBZHDVOL-UHFFFAOYSA-N
XLogP1.45
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 103915432) is N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)N(CCO)CC(F)(F)F)s1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ROHNXVVBZHDVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6-13-4-7(17-6)8(16)14(2-3-15)5-9(10,11)12/h4,15H,2-3,5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103915432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).