2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H13ClN2OS — CID 110723547

IUPAC2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C)C(=O)Cc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN2OS/c1-9-8-18-13(15-9)16(2)12(17)7-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3
InChIKeyVVXUVSKVPPJBSQ-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 110723547) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID110723547
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C)C(=O)Cc2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN2OS/c1-9-8-18-13(15-9)16(2)12(17)7-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3
InChIKeyVVXUVSKVPPJBSQ-UHFFFAOYSA-N
XLogP3.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
CID 110748214
3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
CID 110748217
2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71874575
methyl 5-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoate
CID 86792918
3-(2-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120611119
4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
ethyl 4-[[2-(2-chlorophenyl)acetyl]-methylamino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 171547149
ethyl 2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetate
CID 62007331
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 110723514
2-(2-chlorophenyl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716038
2-[3,5-dichloro-4-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanoic acid
CID 12785147
3-[(2-methylphenyl)methyl-(4-methyl-1,3-thiazol-2-yl)amino]propanoic acid
CID 82309766

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 110723547) is 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(N(C)C(=O)Cc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VVXUVSKVPPJBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-9-8-18-13(15-9)16(2)12(17)7-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 280.78 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110723547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).