2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

C12H11ClN2OS — CID 2392260

IUPAC2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)CCl)c2ccccc2)n1
InChIInChI=1S/C12H11ClN2OS/c1-9-8-17-12(14-9)15(11(16)7-13)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyANTVEXRUHJVROA-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 2392260) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID2392260
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)CCl)c2ccccc2)n1
InChIInChI=1S/C12H11ClN2OS/c1-9-8-17-12(14-9)15(11(16)7-13)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyANTVEXRUHJVROA-UHFFFAOYSA-N
XLogP3.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 3395929
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 3864051
N-[4-(Chloromethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 306088
N-(4-methylthiazol-2-yl)-2-((2-oxo-2-(phenylamino)ethyl)thio)acetamide
CID 935327
3-{2-[N-(2-fluorophenyl)acetamido]-1,3-thiazol-4-yl}prop-2-enoic acid
CID 7363990
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 3865568
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4583185
(2E)-3-{2-[acetyl(phenyl)amino]-1,3-thiazol-4-yl}acrylic acid
CID 2079393
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2512674
N-(4-Phenylcarbamoylmethyl-thiazol-2-yl)-propionamide
CID 656113
N-(2-ethylphenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 3573791
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2121621

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 2392260) is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is Cc1csc(N(C(=O)CCl)c2ccccc2)n1.
What is the InChIKey of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is ANTVEXRUHJVROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-9-8-17-12(14-9)15(11(16)7-13)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 266.75 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 2392260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).