4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole

C21H16FNOS — CID 141031319

IUPAC4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole
SMILESCc1scnc1-c1ccc2cc(OCc3ccccc3F)ccc2c1
InChIInChI=1S/C21H16FNOS/c1-14-21(23-13-25-14)17-7-6-16-11-19(9-8-15(16)10-17)24-12-18-4-2-3-5-20(18)22/h2-11,13H,12H2,1H3
InChIKeyBXOPSRBFTKHZSN-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.99
Rot. Bonds4

About 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole

4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole (PubChem CID 141031319) has the molecular formula C21H16FNOS and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole
PubChem CID141031319
Molecular FormulaC21H16FNOS
Molecular Weight349.43 g/mol
Exact Mass349.09
IUPAC Name4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole
SMILESCc1scnc1-c1ccc2cc(OCc3ccccc3F)ccc2c1
InChIInChI=1S/C21H16FNOS/c1-14-21(23-13-25-14)17-7-6-16-11-19(9-8-15(16)10-17)24-12-18-4-2-3-5-20(18)22/h2-11,13H,12H2,1H3
InChIKeyBXOPSRBFTKHZSN-UHFFFAOYSA-N
XLogP5.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole (CID 141031319) is 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole is Cc1scnc1-c1ccc2cc(OCc3ccccc3F)ccc2c1.
What is the InChIKey of 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole?
The InChIKey is BXOPSRBFTKHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNOS/c1-14-21(23-13-25-14)17-7-6-16-11-19(9-8-15(16)10-17)24-12-18-4-2-3-5-20(18)22/h2-11,13H,12H2,1H3.
What are the key properties of 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole?
4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole has a molecular weight of 349.43 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 141031319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).