2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole

Name: 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₂₂N₂OS — CID 123184321

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole

SMILESCOc1ccc(C(c2ccc3nccc(C=Cc4ccccc4)c3c2)c2nccs2)cc1

InChIInChI=1S/C28H22N2OS/c1-31-24-12-9-22(10-13-24)27(28-30-17-18-32-28)23-11-14-26-25(19-23)21(15-16-29-26)8-7-20-5-3-2-4-6-20/h2-19,27H,1H3

InChIKeyJEHXIKJUYGBUIV-UHFFFAOYSA-N

MW434.56 g/mol

LogP7.05

Rot. Bonds6

About 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole

2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole (PubChem CID 123184321) has the molecular formula C₂₈H₂₂N₂OS and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name	2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole
PubChem CID	123184321
Molecular Formula	C₂₈H₂₂N₂OS
Molecular Weight	434.56 g/mol
Exact Mass	434.15
IUPAC Name	2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole
SMILES	COc1ccc(C(c2ccc3nccc(C=Cc4ccccc4)c3c2)c2nccs2)cc1
InChI	InChI=1S/C28H22N2OS/c1-31-24-12-9-22(10-13-24)27(28-30-17-18-32-28)23-11-14-26-25(19-23)21(15-16-29-26)8-7-20-5-3-2-4-6-20/h2-19,27H,1H3
InChIKey	JEHXIKJUYGBUIV-UHFFFAOYSA-N
XLogP	7.05
TPSA	35.01 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.56
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?

The IUPAC name of 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole (CID 123184321) is 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole.

What is the SMILES notation for 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?

The canonical SMILES for 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole is COc1ccc(C(c2ccc3nccc(C=Cc4ccccc4)c3c2)c2nccs2)cc1.

What is the InChIKey of 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?

The InChIKey is JEHXIKJUYGBUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2OS/c1-31-24-12-9-22(10-13-24)27(28-30-17-18-32-28)23-11-14-26-25(19-23)21(15-16-29-26)8-7-20-5-3-2-4-6-20/h2-19,27H,1H3.

What are the key properties of 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?

2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole has a molecular weight of 434.56 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 123184321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 123184321 — identifiers, structure, computed properties (public domain)

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