2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide

C14H13ClN4O2S — CID 110727010

IUPAC2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1csc2nncn12
InChIInChI=1S/C14H13ClN4O2S/c15-10-1-3-12(4-2-10)21-7-13(20)16-6-5-11-8-22-14-18-17-9-19(11)14/h1-4,8-9H,5-7H2,(H,16,20)
InChIKeyGLMWKJJVJMZCLM-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.18
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide (PubChem CID 110727010) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide
PubChem CID110727010
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCc1csc2nncn12
InChIInChI=1S/C14H13ClN4O2S/c15-10-1-3-12(4-2-10)21-7-13(20)16-6-5-11-8-22-14-18-17-9-19(11)14/h1-4,8-9H,5-7H2,(H,16,20)
InChIKeyGLMWKJJVJMZCLM-UHFFFAOYSA-N
XLogP2.18
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]propanamide
CID 110727031
2-(4-chlorophenoxy)-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]acetamide
CID 18564691
2-chloro-6-fluoro-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]benzamide
CID 110727017
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138
2-(4-chlorophenoxy)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110442694
2-(4-chlorophenoxy)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368452
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide (CID 110727010) is 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCc1csc2nncn12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide?
The InChIKey is GLMWKJJVJMZCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c15-10-1-3-12(4-2-10)21-7-13(20)16-6-5-11-8-22-14-18-17-9-19(11)14/h1-4,8-9H,5-7H2,(H,16,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide has a molecular weight of 336.80 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-([1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 110727010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).