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

C15H10ClNS — CID 677859

IUPAC4-(4-chlorophenyl)-2-phenyl-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H10ClNS/c16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12/h1-10H
InChIKeyIZEQQIVJQWJZCQ-UHFFFAOYSA-N
MW271.77 g/mol
LogP5.13
Rot. Bonds2

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

4-(4-chlorophenyl)-2-phenyl-1,3-thiazole (PubChem CID 677859) has the molecular formula C15H10ClNS and a molecular weight of 271.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenyl-1,3-thiazole
PubChem CID677859
Molecular FormulaC15H10ClNS
Molecular Weight271.77 g/mol
Exact Mass271.02
IUPAC Name4-(4-chlorophenyl)-2-phenyl-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H10ClNS/c16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12/h1-10H
InChIKeyIZEQQIVJQWJZCQ-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.77
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole (CID 677859) is 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole is Clc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole?
The InChIKey is IZEQQIVJQWJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNS/c16-13-8-6-11(7-9-13)14-10-18-15(17-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole?
4-(4-chlorophenyl)-2-phenyl-1,3-thiazole has a molecular weight of 271.77 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 677859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).