2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride

C11H7Cl2NOS — CID 88921143

IUPAC2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
SMILESCc1csc(-c2ccc(Cl)c(C(=O)Cl)c2)n1
InChIInChI=1S/C11H7Cl2NOS/c1-6-5-16-11(14-6)7-2-3-9(12)8(4-7)10(13)15/h2-5H,1H3
InChIKeyFAFCTNCGRMPTPA-UHFFFAOYSA-N
MW272.16 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride

2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride (PubChem CID 88921143) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride.

Molecular Properties

Compound Name2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
PubChem CID88921143
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
SMILESCc1csc(-c2ccc(Cl)c(C(=O)Cl)c2)n1
InChIInChI=1S/C11H7Cl2NOS/c1-6-5-16-11(14-6)7-2-3-9(12)8(4-7)10(13)15/h2-5H,1H3
InChIKeyFAFCTNCGRMPTPA-UHFFFAOYSA-N
XLogP4.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
The IUPAC name of 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride (CID 88921143) is 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride.
What is the SMILES notation for 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
The canonical SMILES for 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride is Cc1csc(-c2ccc(Cl)c(C(=O)Cl)c2)n1.
What is the InChIKey of 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
The InChIKey is FAFCTNCGRMPTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c1-6-5-16-11(14-6)7-2-3-9(12)8(4-7)10(13)15/h2-5H,1H3.
What are the key properties of 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride?
2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride has a molecular weight of 272.16 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride is sourced from PubChem (CID 88921143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).