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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Related Compounds

Benzoic acid, 2-chloro-5-(4-methyl-2-thiazolyl)-
CID 215203
3-(2-Chlorophenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile
CID 23797059
4'-(4-(p-Chlorophenyl)-2-thiazolyl)acetophenone
CID 628655
(E)-3-(2-(2-Chloro-6-fluorophenyl)thiazol-4-yl)acryloyl chloride
CID 86723301
3-[2-(2-Chloro-6-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoyl chloride
CID 123422350
1-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-2-one
CID 153182995
2-Fluoro-4-(4-methyl-1,3-thiazol-2-yl)benzoyl chloride
CID 172532504
(E)-3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(2,4-difluorophenyl)prop-2-en-1-one
CID 8826944
(E)-3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 8832425
(E)-3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(2,6-difluorophenyl)prop-2-en-1-one
CID 8853806
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
CID 1483708
3-(2-Methyl-1,3-thiazol-4-yl)benzoyl chloride
CID 2795381

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).