2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole

C15H8Cl3NS — CID 21408778

IUPAC2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
SMILESClc1cccc(-c2nc(Cl)sc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H8Cl3NS/c16-11-5-1-3-9(7-11)13-14(20-15(18)19-13)10-4-2-6-12(17)8-10/h1-8H
InChIKeyRVGXGPUGWUEQGL-UHFFFAOYSA-N
MW340.66 g/mol
LogP6.44
Rot. Bonds2

About 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole

2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole (PubChem CID 21408778) has the molecular formula C15H8Cl3NS and a molecular weight of 340.66 g/mol. Its IUPAC name is 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
PubChem CID21408778
Molecular FormulaC15H8Cl3NS
Molecular Weight340.66 g/mol
Exact Mass338.94
IUPAC Name2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
SMILESClc1cccc(-c2nc(Cl)sc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H8Cl3NS/c16-11-5-1-3-9(7-11)13-14(20-15(18)19-13)10-4-2-6-12(17)8-10/h1-8H
InChIKeyRVGXGPUGWUEQGL-UHFFFAOYSA-N
XLogP6.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole (CID 21408778) is 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole is Clc1cccc(-c2nc(Cl)sc2-c2cccc(Cl)c2)c1.
What is the InChIKey of 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole?
The InChIKey is RVGXGPUGWUEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NS/c16-11-5-1-3-9(7-11)13-14(20-15(18)19-13)10-4-2-6-12(17)8-10/h1-8H.
What are the key properties of 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole?
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole has a molecular weight of 340.66 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 21408778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).