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

C13H13ClN2O2S — CID 9192653

IUPACN-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H13ClN2O2S/c1-8-3-4-10(14)5-11(8)15-12(17)6-16-9(2)7-19-13(16)18/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyJCAHGNZITBXXKN-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.82
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 9192653) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID9192653
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C13H13ClN2O2S/c1-8-3-4-10(14)5-11(8)15-12(17)6-16-9(2)7-19-13(16)18/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyJCAHGNZITBXXKN-UHFFFAOYSA-N
XLogP2.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 9192653) is N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is JCAHGNZITBXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-3-4-10(14)5-11(8)15-12(17)6-16-9(2)7-19-13(16)18/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 296.78 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 9192653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).