2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole

C19H18FNS — CID 134301621

IUPAC2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole
SMILESC=C(CCC)c1cnc(-c2cc(C)c3cccc(F)c3c2)s1
InChIInChI=1S/C19H18FNS/c1-4-6-12(2)18-11-21-19(22-18)14-9-13(3)15-7-5-8-17(20)16(15)10-14/h5,7-11H,2,4,6H2,1,3H3
InChIKeyFWKZPZOHOVXFJY-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.22
Rot. Bonds4

About 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole

2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole (PubChem CID 134301621) has the molecular formula C19H18FNS and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole
PubChem CID134301621
Molecular FormulaC19H18FNS
Molecular Weight311.43 g/mol
Exact Mass311.11
IUPAC Name2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole
SMILESC=C(CCC)c1cnc(-c2cc(C)c3cccc(F)c3c2)s1
InChIInChI=1S/C19H18FNS/c1-4-6-12(2)18-11-21-19(22-18)14-9-13(3)15-7-5-8-17(20)16(15)10-14/h5,7-11H,2,4,6H2,1,3H3
InChIKeyFWKZPZOHOVXFJY-UHFFFAOYSA-N
XLogP6.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
The IUPAC name of 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole (CID 134301621) is 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole is C=C(CCC)c1cnc(-c2cc(C)c3cccc(F)c3c2)s1.
What is the InChIKey of 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
The InChIKey is FWKZPZOHOVXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNS/c1-4-6-12(2)18-11-21-19(22-18)14-9-13(3)15-7-5-8-17(20)16(15)10-14/h5,7-11H,2,4,6H2,1,3H3.
What are the key properties of 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole has a molecular weight of 311.43 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4-methylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 134301621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).