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

C21H13FN2S — CID 155810208

IUPAC2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
SMILESFc1ccc2[nH]cc(-c3nc(-c4ccc5ccccc5c4)cs3)c2c1
InChIInChI=1S/C21H13FN2S/c22-16-7-8-19-17(10-16)18(11-23-19)21-24-20(12-25-21)15-6-5-13-3-1-2-4-14(13)9-15/h1-12,23H
InChIKeyZGCSYXHTXHQWIL-UHFFFAOYSA-N
MW344.41 g/mol
LogP6.25
Rot. Bonds2

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

2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 155810208) has the molecular formula C21H13FN2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
PubChem CID155810208
Molecular FormulaC21H13FN2S
Molecular Weight344.41 g/mol
Exact Mass344.08
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
SMILESFc1ccc2[nH]cc(-c3nc(-c4ccc5ccccc5c4)cs3)c2c1
InChIInChI=1S/C21H13FN2S/c22-16-7-8-19-17(10-16)18(11-23-19)21-24-20(12-25-21)15-6-5-13-3-1-2-4-14(13)9-15/h1-12,23H
InChIKeyZGCSYXHTXHQWIL-UHFFFAOYSA-N
XLogP6.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole (CID 155810208) is 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole is Fc1ccc2[nH]cc(-c3nc(-c4ccc5ccccc5c4)cs3)c2c1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is ZGCSYXHTXHQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2S/c22-16-7-8-19-17(10-16)18(11-23-19)21-24-20(12-25-21)15-6-5-13-3-1-2-4-14(13)9-15/h1-12,23H.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole has a molecular weight of 344.41 g/mol, XLogP of 6.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-4-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 155810208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).