4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

C24H15ClN2S2 — CID 162653362

IUPAC4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C24H15ClN2S2/c25-20-11-9-16(10-12-20)21-14-29-24(26-21)19-8-4-7-18(13-19)22-15-28-23(27-22)17-5-2-1-3-6-17/h1-15H
InChIKeyNVRFXTWIBJOHMR-UHFFFAOYSA-N
MW430.99 g/mol
LogP7.92
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole

4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (PubChem CID 162653362) has the molecular formula C24H15ClN2S2 and a molecular weight of 430.99 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
PubChem CID162653362
Molecular FormulaC24H15ClN2S2
Molecular Weight430.99 g/mol
Exact Mass430.04
IUPAC Name4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESClc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C24H15ClN2S2/c25-20-11-9-16(10-12-20)21-14-29-24(26-21)19-8-4-7-18(13-19)22-15-28-23(27-22)17-5-2-1-3-6-17/h1-15H
InChIKeyNVRFXTWIBJOHMR-UHFFFAOYSA-N
XLogP7.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.99
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (CID 162653362) is 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is Clc1ccc(-c2csc(-c3cccc(-c4csc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The InChIKey is NVRFXTWIBJOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2S2/c25-20-11-9-16(10-12-20)21-14-29-24(26-21)19-8-4-7-18(13-19)22-15-28-23(27-22)17-5-2-1-3-6-17/h1-15H.
What are the key properties of 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole has a molecular weight of 430.99 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 162653362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).