N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C12H11F3N2O2S2 — CID 103857308

IUPACN-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)7-17(2-3-18)11(19)9-6-21-10(16-9)8-1-4-20-5-8/h1,4-6,18H,2-3,7H2
InChIKeyKYRMMWVXHBDRIW-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.87
Rot. Bonds5

About N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 103857308) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID103857308
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC NameN-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)7-17(2-3-18)11(19)9-6-21-10(16-9)8-1-4-20-5-8/h1,4-6,18H,2-3,7H2
InChIKeyKYRMMWVXHBDRIW-UHFFFAOYSA-N
XLogP2.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 103857308) is N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccsc2)n1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KYRMMWVXHBDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c13-12(14,15)7-17(2-3-18)11(19)9-6-21-10(16-9)8-1-4-20-5-8/h1,4-6,18H,2-3,7H2.
What are the key properties of N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103857308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).