2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride

C11H7Cl2NOS — CID 154260992

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1nc(CCl)cs1
InChIInChI=1S/C11H7Cl2NOS/c12-5-7-6-16-11(14-7)9-4-2-1-3-8(9)10(13)15/h1-4,6H,5H2
InChIKeyWFPUOHOFTAOTDF-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.93
Rot. Bonds3

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride

2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride (PubChem CID 154260992) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
PubChem CID154260992
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1nc(CCl)cs1
InChIInChI=1S/C11H7Cl2NOS/c12-5-7-6-16-11(14-7)9-4-2-1-3-8(9)10(13)15/h1-4,6H,5H2
InChIKeyWFPUOHOFTAOTDF-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
4-[[(R)-2-chloroprop-2-enylsulfinyl]methyl]-2-(2-fluorophenyl)-1,3-thiazole
CID 95316808
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methylethanamine
CID 43263635
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
4-(chloromethyl)-2-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole
CID 43138436
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
4-(chloromethyl)-2-quinolin-2-yl-1,3-thiazole
CID 63222410
2-(4-bromothiophen-3-yl)-4-(chloromethyl)-1,3-thiazole
CID 130157549
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884
3-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116889292
N-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]phenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63865722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride (CID 154260992) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride is O=C(Cl)c1ccccc1-c1nc(CCl)cs1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride?
The InChIKey is WFPUOHOFTAOTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c12-5-7-6-16-11(14-7)9-4-2-1-3-8(9)10(13)15/h1-4,6H,5H2.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride has a molecular weight of 272.16 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride is sourced from PubChem (CID 154260992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).