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

C22H15FN2S — CID 155813743

IUPAC2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
SMILESCn1cc(-c2nc(-c3ccc4ccccc4c3)cs2)c2cc(F)ccc21
InChIInChI=1S/C22H15FN2S/c1-25-12-19(18-11-17(23)8-9-21(18)25)22-24-20(13-26-22)16-7-6-14-4-2-3-5-15(14)10-16/h2-13H,1H3
InChIKeyGTIPOQJZXFHTFQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.26
Rot. Bonds2

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

2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 155813743) has the molecular formula C22H15FN2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
PubChem CID155813743
Molecular FormulaC22H15FN2S
Molecular Weight358.44 g/mol
Exact Mass358.09
IUPAC Name2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
SMILESCn1cc(-c2nc(-c3ccc4ccccc4c3)cs2)c2cc(F)ccc21
InChIInChI=1S/C22H15FN2S/c1-25-12-19(18-11-17(23)8-9-21(18)25)22-24-20(13-26-22)16-7-6-14-4-2-3-5-15(14)10-16/h2-13H,1H3
InChIKeyGTIPOQJZXFHTFQ-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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Related Compounds

1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzothiophene-3,4'-piperidine]
CID 10457448
1-Methyl-3-(2-thiazolyl)-1H-indole
CID 11275932
Benzothiazolium, 3-(1-naphthalenylmethyl)-, bromide
CID 2843279
(R)-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-phenylthiazole
CID 11632711
6-Fluoro-2-(1-methylindol-5-yl)-1,3-benzothiazole
CID 92131165
2-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
CID 164628501
4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
CID 711832
2-(3-indolylidene)-4-(4-methylphenyl)-3H-thiazole
CID 735717
4-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-1,3-thiazole
CID 44523476
N-ethyl-N-[[2-[7-fluoro-1-(oxan-4-ylmethyl)indol-3-yl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 54580066
2-[5-Fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)-1,3-thiazole
CID 162661454
3-[4-(2,5-Dimethylphenyl)-1,3-thiazol-2-yl]pyridine
CID 849787

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole (CID 155813743) is 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole is Cn1cc(-c2nc(-c3ccc4ccccc4c3)cs2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is GTIPOQJZXFHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2S/c1-25-12-19(18-11-17(23)8-9-21(18)25)22-24-20(13-26-22)16-7-6-14-4-2-3-5-15(14)10-16/h2-13H,1H3.
What are the key properties of 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole?
2-(5-fluoro-1-methylindol-3-yl)-4-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 2-(5-fluoro-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 155813743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).