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

C15H10ClNS2 — CID 929608

IUPAC4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole
SMILESClc1ccc(Sc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H10ClNS2/c16-12-6-8-13(9-7-12)19-14-10-18-15(17-14)11-4-2-1-3-5-11/h1-10H
InChIKeyJHURTKIQSUBVFY-UHFFFAOYSA-N
MW303.84 g/mol
LogP5.61
Rot. Bonds3

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

4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole (PubChem CID 929608) has the molecular formula C15H10ClNS2 and a molecular weight of 303.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole
PubChem CID929608
Molecular FormulaC15H10ClNS2
Molecular Weight303.84 g/mol
Exact Mass302.99
IUPAC Name4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole
SMILESClc1ccc(Sc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H10ClNS2/c16-12-6-8-13(9-7-12)19-14-10-18-15(17-14)11-4-2-1-3-5-11/h1-10H
InChIKeyJHURTKIQSUBVFY-UHFFFAOYSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.84
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole
CID 2324850
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200
5-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)-2-phenyl-1,3-thiazole
CID 4269272
2-(4-chlorophenyl)sulfanyl-3-phenylquinoline
CID 3675117
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
2-phenyl-1,3-thiazol-4-ol
CID 568728
5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole
CID 3828921
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
4-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazole
CID 51064856
(4-chlorophenyl) 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 8764496
5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1045445

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole (CID 929608) is 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole is Clc1ccc(Sc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole?
The InChIKey is JHURTKIQSUBVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNS2/c16-12-6-8-13(9-7-12)19-14-10-18-15(17-14)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole?
4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole has a molecular weight of 303.84 g/mol, XLogP of 5.61, 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-phenyl-1,3-thiazole is sourced from PubChem (CID 929608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).