N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide

C13H11F3N2O3S — CID 67310384

IUPACN-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C13H11F3N2O3S/c1-18(12-17-6-7-22-12)11(19)8-20-9-2-4-10(5-3-9)21-13(14,15)16/h2-7H,8H2,1H3
InChIKeyHLXNMNSVFDBXJJ-UHFFFAOYSA-N
MW332.30 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide

N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 67310384) has the molecular formula C13H11F3N2O3S and a molecular weight of 332.30 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
PubChem CID67310384
Molecular FormulaC13H11F3N2O3S
Molecular Weight332.30 g/mol
Exact Mass332.04
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCN(C(=O)COc1ccc(OC(F)(F)F)cc1)c1nccs1
InChIInChI=1S/C13H11F3N2O3S/c1-18(12-17-6-7-22-12)11(19)8-20-9-2-4-10(5-3-9)21-13(14,15)16/h2-7H,8H2,1H3
InChIKeyHLXNMNSVFDBXJJ-UHFFFAOYSA-N
XLogP3.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 67310384) is N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide is CN(C(=O)COc1ccc(OC(F)(F)F)cc1)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is HLXNMNSVFDBXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3S/c1-18(12-17-6-7-22-12)11(19)8-20-9-2-4-10(5-3-9)21-13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide?
N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 332.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 67310384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).