4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole

C10H7Cl2NS — CID 114994180

IUPAC4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole
SMILESClc1ccc(C(Cl)c2cscn2)cc1
InChIInChI=1S/C10H7Cl2NS/c11-8-3-1-7(2-4-8)10(12)9-5-14-6-13-9/h1-6,10H
InChIKeyMTYNJLXHGDBLRQ-UHFFFAOYSA-N
MW244.15 g/mol
LogP4.12
Rot. Bonds2

About 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole

4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole (PubChem CID 114994180) has the molecular formula C10H7Cl2NS and a molecular weight of 244.15 g/mol. Its IUPAC name is 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole
PubChem CID114994180
Molecular FormulaC10H7Cl2NS
Molecular Weight244.15 g/mol
Exact Mass242.97
IUPAC Name4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole
SMILESClc1ccc(C(Cl)c2cscn2)cc1
InChIInChI=1S/C10H7Cl2NS/c11-8-3-1-7(2-4-8)10(12)9-5-14-6-13-9/h1-6,10H
InChIKeyMTYNJLXHGDBLRQ-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
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-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole (CID 114994180) is 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole is Clc1ccc(C(Cl)c2cscn2)cc1.
What is the InChIKey of 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole?
The InChIKey is MTYNJLXHGDBLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NS/c11-8-3-1-7(2-4-8)10(12)9-5-14-6-13-9/h1-6,10H.
What are the key properties of 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole?
4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole has a molecular weight of 244.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(4-chlorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 114994180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).