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

C8H9F3N2O2S — CID 103915379

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(c1cncs1)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)4-13(1-2-14)7(15)6-3-12-5-16-6/h3,5,14H,1-2,4H2
InChIKeyKLTMMDXCDUEXEH-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.14
Rot. Bonds4

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

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 103915379) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID103915379
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(c1cncs1)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)4-13(1-2-14)7(15)6-3-12-5-16-6/h3,5,14H,1-2,4H2
InChIKeyKLTMMDXCDUEXEH-UHFFFAOYSA-N
XLogP1.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 103915379) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is O=C(c1cncs1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KLTMMDXCDUEXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)4-13(1-2-14)7(15)6-3-12-5-16-6/h3,5,14H,1-2,4H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 254.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103915379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).