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

C27H19ClN2S — CID 123373291

IUPAC4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole
SMILESClc1ccc(C(c2ccc3nccc(C=Cc4ccccc4)c3c2)c2cscn2)cc1
InChIInChI=1S/C27H19ClN2S/c28-23-11-8-21(9-12-23)27(26-17-31-18-30-26)22-10-13-25-24(16-22)20(14-15-29-25)7-6-19-4-2-1-3-5-19/h1-18,27H
InChIKeyHYMJABJBKKQWCX-UHFFFAOYSA-N
MW438.98 g/mol
LogP7.70
Rot. Bonds5

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

4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole (PubChem CID 123373291) has the molecular formula C27H19ClN2S and a molecular weight of 438.98 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole
PubChem CID123373291
Molecular FormulaC27H19ClN2S
Molecular Weight438.98 g/mol
Exact Mass438.10
IUPAC Name4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole
SMILESClc1ccc(C(c2ccc3nccc(C=Cc4ccccc4)c3c2)c2cscn2)cc1
InChIInChI=1S/C27H19ClN2S/c28-23-11-8-21(9-12-23)27(26-17-31-18-30-26)22-10-13-25-24(16-22)20(14-15-29-25)7-6-19-4-2-1-3-5-19/h1-18,27H
InChIKeyHYMJABJBKKQWCX-UHFFFAOYSA-N
XLogP7.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole (CID 123373291) is 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole is Clc1ccc(C(c2ccc3nccc(C=Cc4ccccc4)c3c2)c2cscn2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?
The InChIKey is HYMJABJBKKQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN2S/c28-23-11-8-21(9-12-23)27(26-17-31-18-30-26)22-10-13-25-24(16-22)20(14-15-29-25)7-6-19-4-2-1-3-5-19/h1-18,27H.
What are the key properties of 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole?
4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole has a molecular weight of 438.98 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 123373291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).