2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole

C10H7Cl2NS — CID 90096817

IUPAC2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H7Cl2NS/c1-6-5-14-10(13-6)9-7(11)3-2-4-8(9)12/h2-5H,1H3
InChIKeyDWZXBCLASAYGJW-UHFFFAOYSA-N
MW244.15 g/mol
LogP4.43
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole

2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole (PubChem CID 90096817) has the molecular formula C10H7Cl2NS and a molecular weight of 244.15 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole
PubChem CID90096817
Molecular FormulaC10H7Cl2NS
Molecular Weight244.15 g/mol
Exact Mass242.97
IUPAC Name2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C10H7Cl2NS/c1-6-5-14-10(13-6)9-7(11)3-2-4-8(9)12/h2-5H,1H3
InChIKeyDWZXBCLASAYGJW-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole (CID 90096817) is 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole is Cc1csc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is DWZXBCLASAYGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NS/c1-6-5-14-10(13-6)9-7(11)3-2-4-8(9)12/h2-5H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole?
2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 244.15 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 90096817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).