2-(1,3-thiazol-2-yl)benzoyl chloride

C10H6ClNOS — CID 21313669

IUPAC2-(1,3-thiazol-2-yl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1nccs1
InChIInChI=1S/C10H6ClNOS/c11-9(13)7-3-1-2-4-8(7)10-12-5-6-14-10/h1-6H
InChIKeyKGNHEOOMSNRFKG-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.19
Rot. Bonds2

About 2-(1,3-thiazol-2-yl)benzoyl chloride

2-(1,3-thiazol-2-yl)benzoyl chloride (PubChem CID 21313669) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)benzoyl chloride.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)benzoyl chloride
PubChem CID21313669
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name2-(1,3-thiazol-2-yl)benzoyl chloride
SMILESO=C(Cl)c1ccccc1-c1nccs1
InChIInChI=1S/C10H6ClNOS/c11-9(13)7-3-1-2-4-8(7)10-12-5-6-14-10/h1-6H
InChIKeyKGNHEOOMSNRFKG-UHFFFAOYSA-N
XLogP3.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
2-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 143596918
1-phenyl-2-[2-(1,3-thiazol-2-yl)phenyl]ethane-1,2-dione
CID 141085725
2-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride
CID 154260992
2-(2-aminophenyl)benzoyl chloride
CID 54476428
5-bromo-2-(1,3-thiazol-2-yl)benzoic acid
CID 169450844
2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 110459394
1-[3-propanoyl-2-(1,3-thiazol-2-yl)phenyl]propan-1-one
CID 11459995
[2-(1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 52983593
2-(3-chloro-2-methylphenyl)-1,3-thiazole
CID 57198731
1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443866
5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617965

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)benzoyl chloride?
The IUPAC name of 2-(1,3-thiazol-2-yl)benzoyl chloride (CID 21313669) is 2-(1,3-thiazol-2-yl)benzoyl chloride.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)benzoyl chloride?
The canonical SMILES for 2-(1,3-thiazol-2-yl)benzoyl chloride is O=C(Cl)c1ccccc1-c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)benzoyl chloride?
The InChIKey is KGNHEOOMSNRFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-9(13)7-3-1-2-4-8(7)10-12-5-6-14-10/h1-6H.
What are the key properties of 2-(1,3-thiazol-2-yl)benzoyl chloride?
2-(1,3-thiazol-2-yl)benzoyl chloride has a molecular weight of 223.68 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)benzoyl chloride is sourced from PubChem (CID 21313669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).