2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole

C24H18FNS — CID 175156571

IUPAC2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole
SMILESCc1ccccc1C=Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18FNS/c1-17-4-2-3-5-19(17)9-6-18-7-10-20(11-8-18)23-16-27-24(26-23)21-12-14-22(25)15-13-21/h2-16H,1H3
InChIKeyGKXMFRSLBYSTTN-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.10
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole

2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole (PubChem CID 175156571) has the molecular formula C24H18FNS and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole
PubChem CID175156571
Molecular FormulaC24H18FNS
Molecular Weight371.48 g/mol
Exact Mass371.11
IUPAC Name2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole
SMILESCc1ccccc1C=Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C24H18FNS/c1-17-4-2-3-5-19(17)9-6-18-7-10-20(11-8-18)23-16-27-24(26-23)21-12-14-22(25)15-13-21/h2-16H,1H3
InChIKeyGKXMFRSLBYSTTN-UHFFFAOYSA-N
XLogP7.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole (CID 175156571) is 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole is Cc1ccccc1C=Cc1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole?
The InChIKey is GKXMFRSLBYSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNS/c1-17-4-2-3-5-19(17)9-6-18-7-10-20(11-8-18)23-16-27-24(26-23)21-12-14-22(25)15-13-21/h2-16H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole?
2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole has a molecular weight of 371.48 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[4-[2-(2-methylphenyl)ethenyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 175156571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).