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

C13H12BrClN2OS — CID 43320043

IUPACN-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C13H12BrClN2OS/c1-8-4-9(14)2-3-11(8)17-12(18)5-13-16-10(6-15)7-19-13/h2-4,7H,5-6H2,1H3,(H,17,18)
InChIKeyGIFJOCGAMIBWDV-UHFFFAOYSA-N
MW359.68 g/mol
LogP4.13
Rot. Bonds4

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

N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 43320043) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID43320043
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1nc(CCl)cs1
InChIInChI=1S/C13H12BrClN2OS/c1-8-4-9(14)2-3-11(8)17-12(18)5-13-16-10(6-15)7-19-13/h2-4,7H,5-6H2,1H3,(H,17,18)
InChIKeyGIFJOCGAMIBWDV-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-methoxy-2-methylphenyl)acetamide
CID 62872274
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 63334584
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-tribromophenyl)acetamide
CID 43319976
N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 107629357
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305423
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 30940457
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812228
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 16768117
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-difluorophenyl)acetamide
CID 43320053
2-[4-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17436287

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (CID 43320043) is N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(Br)ccc1NC(=O)Cc1nc(CCl)cs1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GIFJOCGAMIBWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-8-4-9(14)2-3-11(8)17-12(18)5-13-16-10(6-15)7-19-13/h2-4,7H,5-6H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
N-(4-bromo-2-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-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43320043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).