6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C23H13F3N4S — CID 52953300

IUPAC6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(F)cc34)nc3sc4cc(F)ccc4n23)cc1
InChIInChI=1S/C23H13F3N4S/c24-12-1-5-15(6-2-12)28-22-21(17-11-27-18-7-3-13(25)9-16(17)18)29-23-30(22)19-8-4-14(26)10-20(19)31-23/h1-11,27-28H
InChIKeyVQLJGWHKLLGJOM-UHFFFAOYSA-N
MW434.45 g/mol
LogP6.86
Rot. Bonds3

About 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine

6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 52953300) has the molecular formula C23H13F3N4S and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound Name6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID52953300
Molecular FormulaC23H13F3N4S
Molecular Weight434.45 g/mol
Exact Mass434.08
IUPAC Name6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(F)cc34)nc3sc4cc(F)ccc4n23)cc1
InChIInChI=1S/C23H13F3N4S/c24-12-1-5-15(6-2-12)28-22-21(17-11-27-18-7-3-13(25)9-16(17)18)29-23-30(22)19-8-4-14(26)10-20(19)31-23/h1-11,27-28H
InChIKeyVQLJGWHKLLGJOM-UHFFFAOYSA-N
XLogP6.86
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-(5-fluoro-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 24889684
(6-fluoro-2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methanol
CID 21256466
N-(4-fluorophenyl)-6-(3-iodo-4-pyridinyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 70832082
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 59579193
6-(2-chloro-6-fluorophenyl)-N-(4-fluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59578837
3-(2-bromothiophen-3-yl)-5-fluoro-1H-indole
CID 171351147
2-(2-fluoro-5-methylphenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59579086
methyl 2-[6-(2-chloro-4-fluorophenyl)-5-(4-fluoroanilino)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 59579107
3-(5-fluoro-1H-indol-3-yl)benzamide
CID 141029269
5-fluoro-1H-indol-3-ol
CID 90083452
3-(5-fluoro-1H-indol-3-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985983

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 52953300) is 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is Fc1ccc(Nc2c(-c3c[nH]c4ccc(F)cc34)nc3sc4cc(F)ccc4n23)cc1.
What is the InChIKey of 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is VQLJGWHKLLGJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N4S/c24-12-1-5-15(6-2-12)28-22-21(17-11-27-18-7-3-13(25)9-16(17)18)29-23-30(22)19-8-4-14(26)10-20(19)31-23/h1-11,27-28H.
What are the key properties of 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 434.45 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 52953300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).