2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole

C15H5Cl6NS — CID 134617770

IUPAC2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole
SMILESClc1cc(Cl)c(-c2csc(-c3c(Cl)cc(Cl)cc3Cl)n2)c(Cl)c1
InChIInChI=1S/C15H5Cl6NS/c16-6-1-8(18)13(9(19)2-6)12-5-23-15(22-12)14-10(20)3-7(17)4-11(14)21/h1-5H
InChIKeyKSXIFKBJVVPKIS-UHFFFAOYSA-N
MW444.00 g/mol
LogP8.40
Rot. Bonds2

About 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole

2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole (PubChem CID 134617770) has the molecular formula C15H5Cl6NS and a molecular weight of 444.00 g/mol. Its IUPAC name is 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole
PubChem CID134617770
Molecular FormulaC15H5Cl6NS
Molecular Weight444.00 g/mol
Exact Mass440.83
IUPAC Name2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole
SMILESClc1cc(Cl)c(-c2csc(-c3c(Cl)cc(Cl)cc3Cl)n2)c(Cl)c1
InChIInChI=1S/C15H5Cl6NS/c16-6-1-8(18)13(9(19)2-6)12-5-23-15(22-12)14-10(20)3-7(17)4-11(14)21/h1-5H
InChIKeyKSXIFKBJVVPKIS-UHFFFAOYSA-N
XLogP8.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.00
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole?
The IUPAC name of 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole (CID 134617770) is 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole is Clc1cc(Cl)c(-c2csc(-c3c(Cl)cc(Cl)cc3Cl)n2)c(Cl)c1.
What is the InChIKey of 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole?
The InChIKey is KSXIFKBJVVPKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5Cl6NS/c16-6-1-8(18)13(9(19)2-6)12-5-23-15(22-12)14-10(20)3-7(17)4-11(14)21/h1-5H.
What are the key properties of 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole?
2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole has a molecular weight of 444.00 g/mol, XLogP of 8.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 134617770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).