2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C15H15F3N2O3S — CID 46942657

IUPAC2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(COCCO)n1
InChIInChI=1S/C15H15F3N2O3S/c16-15(17,18)11-3-1-2-10(6-11)7-19-14(22)12-9-24-13(20-12)8-23-5-4-21/h1-3,6,9,21H,4-5,7-8H2,(H,19,22)
InChIKeyZSSPLQYDASOZNS-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.60
Rot. Bonds7

About 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46942657) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID46942657
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Name2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1csc(COCCO)n1
InChIInChI=1S/C15H15F3N2O3S/c16-15(17,18)11-3-1-2-10(6-11)7-19-14(22)12-9-24-13(20-12)8-23-5-4-21/h1-3,6,9,21H,4-5,7-8H2,(H,19,22)
InChIKeyZSSPLQYDASOZNS-UHFFFAOYSA-N
XLogP2.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 46942657) is 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1csc(COCCO)n1.
What is the InChIKey of 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZSSPLQYDASOZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c16-15(17,18)11-3-1-2-10(6-11)7-19-14(22)12-9-24-13(20-12)8-23-5-4-21/h1-3,6,9,21H,4-5,7-8H2,(H,19,22).
What are the key properties of 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46942657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).