2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C13H13ClN2O2S — CID 2673140

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C13H13ClN2O2S/c1-8-5-10(3-4-11(8)14)18-7-12(17)16-13-15-6-9(2)19-13/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyHGTLLJQEZZYGAE-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.43
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2673140) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2673140
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)COc2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C13H13ClN2O2S/c1-8-5-10(3-4-11(8)14)18-7-12(17)16-13-15-6-9(2)19-13/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyHGTLLJQEZZYGAE-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2673140) is 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)COc2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HGTLLJQEZZYGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-5-10(3-4-11(8)14)18-7-12(17)16-13-15-6-9(2)19-13/h3-6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 296.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).