4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole

C16H12ClNS2 — CID 2324850

IUPAC4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(Sc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClNS2/c1-11-2-4-12(5-3-11)16-18-15(10-19-16)20-14-8-6-13(17)7-9-14/h2-10H,1H3
InChIKeyISZFFIPZCAEJCQ-UHFFFAOYSA-N
MW317.87 g/mol
LogP5.92
Rot. Bonds3

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

4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 2324850) has the molecular formula C16H12ClNS2 and a molecular weight of 317.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole
PubChem CID2324850
Molecular FormulaC16H12ClNS2
Molecular Weight317.87 g/mol
Exact Mass317.01
IUPAC Name4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(Sc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C16H12ClNS2/c1-11-2-4-12(5-3-11)16-18-15(10-19-16)20-14-8-6-13(17)7-9-14/h2-10H,1H3
InChIKeyISZFFIPZCAEJCQ-UHFFFAOYSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.87
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole (CID 2324850) is 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(Sc3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is ISZFFIPZCAEJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS2/c1-11-2-4-12(5-3-11)16-18-15(10-19-16)20-14-8-6-13(17)7-9-14/h2-10H,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole?
4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 317.87 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 2324850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).