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

C20H20FNS — CID 134301627

IUPAC2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole
SMILESC=C(CCC)c1cnc(-c2cc(C)c3c(C)ccc(F)c3c2)s1
InChIInChI=1S/C20H20FNS/c1-5-6-12(2)18-11-22-20(23-18)15-9-14(4)19-13(3)7-8-17(21)16(19)10-15/h7-11H,2,5-6H2,1,3-4H3
InChIKeyUOPUKIATRGIULT-UHFFFAOYSA-N
MW325.45 g/mol
LogP6.53
Rot. Bonds4

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

2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole (PubChem CID 134301627) has the molecular formula C20H20FNS and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole
PubChem CID134301627
Molecular FormulaC20H20FNS
Molecular Weight325.45 g/mol
Exact Mass325.13
IUPAC Name2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole
SMILESC=C(CCC)c1cnc(-c2cc(C)c3c(C)ccc(F)c3c2)s1
InChIInChI=1S/C20H20FNS/c1-5-6-12(2)18-11-22-20(23-18)15-9-14(4)19-13(3)7-8-17(21)16(19)10-15/h7-11H,2,5-6H2,1,3-4H3
InChIKeyUOPUKIATRGIULT-UHFFFAOYSA-N
XLogP6.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
The IUPAC name of 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole (CID 134301627) is 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole is C=C(CCC)c1cnc(-c2cc(C)c3c(C)ccc(F)c3c2)s1.
What is the InChIKey of 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
The InChIKey is UOPUKIATRGIULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNS/c1-5-6-12(2)18-11-22-20(23-18)15-9-14(4)19-13(3)7-8-17(21)16(19)10-15/h7-11H,2,5-6H2,1,3-4H3.
What are the key properties of 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole?
2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole has a molecular weight of 325.45 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4,5-dimethylnaphthalen-2-yl)-5-pent-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 134301627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).