4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole

C21H18FNS — CID 150513060

IUPAC4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(CCC2CSC(c3cccc4ccccc34)=N2)cc1
InChIInChI=1S/C21H18FNS/c22-17-11-8-15(9-12-17)10-13-18-14-24-21(23-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,11-12,18H,10,13-14H2
InChIKeyIAGJHJMLTAVKHP-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.47
Rot. Bonds4

About 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole

4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole (PubChem CID 150513060) has the molecular formula C21H18FNS and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole
PubChem CID150513060
Molecular FormulaC21H18FNS
Molecular Weight335.45 g/mol
Exact Mass335.11
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole
SMILESFc1ccc(CCC2CSC(c3cccc4ccccc34)=N2)cc1
InChIInChI=1S/C21H18FNS/c22-17-11-8-15(9-12-17)10-13-18-14-24-21(23-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,11-12,18H,10,13-14H2
InChIKeyIAGJHJMLTAVKHP-UHFFFAOYSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole (CID 150513060) is 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole is Fc1ccc(CCC2CSC(c3cccc4ccccc34)=N2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is IAGJHJMLTAVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNS/c22-17-11-8-15(9-12-17)10-13-18-14-24-21(23-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,11-12,18H,10,13-14H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole?
4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 335.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-2-naphthalen-1-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 150513060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).