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

C16H11Cl2NS — CID 670934

IUPAC5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole
SMILESCc1cc(-c2cnc(-c3ccc(Cl)cc3)s2)ccc1Cl
InChIInChI=1S/C16H11Cl2NS/c1-10-8-12(4-7-14(10)18)15-9-19-16(20-15)11-2-5-13(17)6-3-11/h2-9H,1H3
InChIKeyHRGYBFGLLQCJJP-UHFFFAOYSA-N
MW320.24 g/mol
LogP6.09
Rot. Bonds2

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

5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole (PubChem CID 670934) has the molecular formula C16H11Cl2NS and a molecular weight of 320.24 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole
PubChem CID670934
Molecular FormulaC16H11Cl2NS
Molecular Weight320.24 g/mol
Exact Mass319.00
IUPAC Name5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole
SMILESCc1cc(-c2cnc(-c3ccc(Cl)cc3)s2)ccc1Cl
InChIInChI=1S/C16H11Cl2NS/c1-10-8-12(4-7-14(10)18)15-9-19-16(20-15)11-2-5-13(17)6-3-11/h2-9H,1H3
InChIKeyHRGYBFGLLQCJJP-UHFFFAOYSA-N
XLogP6.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.24
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole (CID 670934) is 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole is Cc1cc(-c2cnc(-c3ccc(Cl)cc3)s2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole?
The InChIKey is HRGYBFGLLQCJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NS/c1-10-8-12(4-7-14(10)18)15-9-19-16(20-15)11-2-5-13(17)6-3-11/h2-9H,1H3.
What are the key properties of 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole?
5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole has a molecular weight of 320.24 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 670934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).