2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole

C15H9Cl2NS2 — CID 13177806

IUPAC2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1ccc(Sc2cnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C15H9Cl2NS2/c16-11-3-1-10(2-4-11)15-18-9-14(20-15)19-13-7-5-12(17)6-8-13/h1-9H
InChIKeyCFMFIGRLWRZHGK-UHFFFAOYSA-N
MW338.28 g/mol
LogP6.27
Rot. Bonds3

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

2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole (PubChem CID 13177806) has the molecular formula C15H9Cl2NS2 and a molecular weight of 338.28 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole
PubChem CID13177806
Molecular FormulaC15H9Cl2NS2
Molecular Weight338.28 g/mol
Exact Mass336.96
IUPAC Name2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole
SMILESClc1ccc(Sc2cnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C15H9Cl2NS2/c16-11-3-1-10(2-4-11)15-18-9-14(20-15)19-13-7-5-12(17)6-8-13/h1-9H
InChIKeyCFMFIGRLWRZHGK-UHFFFAOYSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1,3-thiazole-5-carbothioamide
CID 82422528
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 670934
2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091914
5-[2-(4-chlorophenyl)ethynyl]-2-(4-methylphenyl)-1,3-thiazole
CID 14405328
4-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-thiazole
CID 2324850
2-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82422531
2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 1476728
4-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-thiazole
CID 929608
4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 1476734
5-chloro-2-(4-fluorophenyl)-1,3-thiazole
CID 117259108
5-(4-chlorophenyl)sulfanylpyrazine-2-carbonitrile
CID 63659452

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole (CID 13177806) is 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole is Clc1ccc(Sc2cnc(-c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole?
The InChIKey is CFMFIGRLWRZHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NS2/c16-11-3-1-10(2-4-11)15-18-9-14(20-15)19-13-7-5-12(17)6-8-13/h1-9H.
What are the key properties of 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole?
2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole has a molecular weight of 338.28 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 13177806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).