4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole

C10H7Cl2NS — CID 2063595

IUPAC4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole
SMILESClCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H7Cl2NS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,6H,5H2
InChIKeySORQUIQQZNHWIP-UHFFFAOYSA-N
MW244.15 g/mol
LogP4.20
Rot. Bonds2

About 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole

4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole (PubChem CID 2063595) has the molecular formula C10H7Cl2NS and a molecular weight of 244.15 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole
PubChem CID2063595
Molecular FormulaC10H7Cl2NS
Molecular Weight244.15 g/mol
Exact Mass242.97
IUPAC Name4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole
SMILESClCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H7Cl2NS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,6H,5H2
InChIKeySORQUIQQZNHWIP-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole (CID 2063595) is 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole is ClCc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole?
The InChIKey is SORQUIQQZNHWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole?
4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole has a molecular weight of 244.15 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 2063595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).