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

C13H12BrClN2OS — CID 63334584

IUPACN-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(CCl)cs2)cc1Br
InChIInChI=1S/C13H12BrClN2OS/c1-8-2-3-9(4-11(8)14)16-12(18)5-13-17-10(6-15)7-19-13/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyAVFGMYPQNSYPGU-UHFFFAOYSA-N
MW359.68 g/mol
LogP4.13
Rot. Bonds4

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

N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 63334584) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID63334584
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2nc(CCl)cs2)cc1Br
InChIInChI=1S/C13H12BrClN2OS/c1-8-2-3-9(4-11(8)14)16-12(18)5-13-17-10(6-15)7-19-13/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyAVFGMYPQNSYPGU-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 54.13
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

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812228
N-(4-bromo-3-methoxyphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 82860270
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045
N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 43320043
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43320057
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-tribromophenyl)acetamide
CID 43319976
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-iodophenyl)acetamide
CID 43319978
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43320120
N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 107629357
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (CID 63334584) is N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(NC(=O)Cc2nc(CCl)cs2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AVFGMYPQNSYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-8-2-3-9(4-11(8)14)16-12(18)5-13-17-10(6-15)7-19-13/h2-4,7H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.68 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 63334584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).