2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C12H11ClN2OS — CID 824089

IUPAC2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CCl)n2)cc1
InChIInChI=1S/C12H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-17-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyOVZLZSDKRSUJAB-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 824089) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID824089
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CCl)n2)cc1
InChIInChI=1S/C12H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-17-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyOVZLZSDKRSUJAB-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
2-Cinnamamido-4-phenylthiazole
CID 690181
N1-hydroxy-N8-(4-phenylthiazol-2-yl)octanediamide
CID 10383069
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 346945
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 1245792
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]guanidine
CID 2741257
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 346935
2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 813276
N-[4-(biphenyl-4-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 868830
Lotifazole
CID 68905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 824089) is 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CCl)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OVZLZSDKRSUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-2-4-9(5-3-8)10-7-17-12(14-10)15-11(16)6-13/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 266.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 824089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).