4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole

C22H15FN2S — CID 155811738

IUPAC4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole
SMILESCn1cc(-c2csc(-c3ccc4ccccc4c3)n2)c2cc(F)ccc21
InChIInChI=1S/C22H15FN2S/c1-25-12-19(18-11-17(23)8-9-21(18)25)20-13-26-22(24-20)16-7-6-14-4-2-3-5-15(14)10-16/h2-13H,1H3
InChIKeyCCQXCOVSJUOKLT-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.26
Rot. Bonds2

About 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole

4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole (PubChem CID 155811738) has the molecular formula C22H15FN2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole
PubChem CID155811738
Molecular FormulaC22H15FN2S
Molecular Weight358.44 g/mol
Exact Mass358.09
IUPAC Name4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole
SMILESCn1cc(-c2csc(-c3ccc4ccccc4c3)n2)c2cc(F)ccc21
InChIInChI=1S/C22H15FN2S/c1-25-12-19(18-11-17(23)8-9-21(18)25)20-13-26-22(24-20)16-7-6-14-4-2-3-5-15(14)10-16/h2-13H,1H3
InChIKeyCCQXCOVSJUOKLT-UHFFFAOYSA-N
XLogP6.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole (CID 155811738) is 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole is Cn1cc(-c2csc(-c3ccc4ccccc4c3)n2)c2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole?
The InChIKey is CCQXCOVSJUOKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2S/c1-25-12-19(18-11-17(23)8-9-21(18)25)20-13-26-22(24-20)16-7-6-14-4-2-3-5-15(14)10-16/h2-13H,1H3.
What are the key properties of 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole?
4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole has a molecular weight of 358.44 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylindol-3-yl)-2-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 155811738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).