N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide

C12H9BrClFN2OS — CID 107629357

IUPACN-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1nc(CCl)cs1)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H9BrClFN2OS/c13-9-2-1-7(15)3-10(9)17-11(18)4-12-16-8(5-14)6-19-12/h1-3,6H,4-5H2,(H,17,18)
InChIKeyAEYJCPAPAMXYLF-UHFFFAOYSA-N
MW363.64 g/mol
LogP3.96
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide

N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 107629357) has the molecular formula C12H9BrClFN2OS and a molecular weight of 363.64 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID107629357
Molecular FormulaC12H9BrClFN2OS
Molecular Weight363.64 g/mol
Exact Mass361.93
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1nc(CCl)cs1)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H9BrClFN2OS/c13-9-2-1-7(15)3-10(9)17-11(18)4-12-16-8(5-14)6-19-12/h1-3,6H,4-5H2,(H,17,18)
InChIKeyAEYJCPAPAMXYLF-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 53.96
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-(2,5-difluorophenyl)acetamide
CID 43320053
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,4,6-tribromophenyl)acetamide
CID 43319976
N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 43320043
N-(3-bromo-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 63334584
N-(4-bromo-3-methoxyphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 82860270
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 43320091
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-(4-chlorophenyl)acetamide
CID 43244296
methyl 3-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 43137996
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 43320061
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 62872274

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide (CID 107629357) is N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1nc(CCl)cs1)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is AEYJCPAPAMXYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2OS/c13-9-2-1-7(15)3-10(9)17-11(18)4-12-16-8(5-14)6-19-12/h1-3,6H,4-5H2,(H,17,18).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide?
N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 363.64 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 107629357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).