2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole

C21H22FNS — CID 134301718

IUPAC2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole
SMILESC=C(CCC)c1sc(-c2cc(C)c3ccc(C)c(F)c3c2)nc1C
InChIInChI=1S/C21H22FNS/c1-6-7-13(3)20-15(5)23-21(24-20)16-10-14(4)17-9-8-12(2)19(22)18(17)11-16/h8-11H,3,6-7H2,1-2,4-5H3
InChIKeyHWOGEKMNGGVAKN-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.84
Rot. Bonds4

About 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole

2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole (PubChem CID 134301718) has the molecular formula C21H22FNS and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole
PubChem CID134301718
Molecular FormulaC21H22FNS
Molecular Weight339.48 g/mol
Exact Mass339.15
IUPAC Name2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole
SMILESC=C(CCC)c1sc(-c2cc(C)c3ccc(C)c(F)c3c2)nc1C
InChIInChI=1S/C21H22FNS/c1-6-7-13(3)20-15(5)23-21(24-20)16-10-14(4)17-9-8-12(2)19(22)18(17)11-16/h8-11H,3,6-7H2,1-2,4-5H3
InChIKeyHWOGEKMNGGVAKN-UHFFFAOYSA-N
XLogP6.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole?
The IUPAC name of 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole (CID 134301718) is 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole is C=C(CCC)c1sc(-c2cc(C)c3ccc(C)c(F)c3c2)nc1C.
What is the InChIKey of 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole?
The InChIKey is HWOGEKMNGGVAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNS/c1-6-7-13(3)20-15(5)23-21(24-20)16-10-14(4)17-9-8-12(2)19(22)18(17)11-16/h8-11H,3,6-7H2,1-2,4-5H3.
What are the key properties of 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole?
2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole has a molecular weight of 339.48 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4,7-dimethylnaphthalen-2-yl)-4-methyl-5-pent-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 134301718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).