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

C23H15FN4S — CID 138982742

IUPACN-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C23H15FN4S/c24-14-9-11-15(12-10-14)26-22-21(17-13-25-18-6-2-1-5-16(17)18)27-23-28(22)19-7-3-4-8-20(19)29-23/h1-13,25-26H
InChIKeyVWIHQKGSNCQHKR-UHFFFAOYSA-N
MW398.47 g/mol
LogP6.58
Rot. Bonds3

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

N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 138982742) has the molecular formula C23H15FN4S and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID138982742
Molecular FormulaC23H15FN4S
Molecular Weight398.47 g/mol
Exact Mass398.10
IUPAC NameN-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3sc4ccccc4n23)cc1
InChIInChI=1S/C23H15FN4S/c24-14-9-11-15(12-10-14)26-22-21(17-13-25-18-6-2-1-5-16(17)18)27-23-28(22)19-7-3-4-8-20(19)29-23/h1-13,25-26H
InChIKeyVWIHQKGSNCQHKR-UHFFFAOYSA-N
XLogP6.58
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 2760645
2-(4-Pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 11509560
7-Fluoro-2-(4-dimethylaminophenyl)-imidazo[2,1-b]benzothiazole
CID 24757875
N-cyclohexyl-6-(1H-indazol-5-yl)imidazo[2,1-b]thiazol-5-amine
CID 25166869
4-Imidazo[2,1-b][1,3]benzothiazol-2-ylaniline
CID 28325580
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 68310823
US9670204, 226 N-(6-(4-((1H-imidazol-2-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78427642
US9670204, 192 N-(6-(4-((1H-imidazol-5-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90420651
6-fluoro-3-[[5-(4-fluorophenyl)sulfanyl-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471873
3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-1H-indole
CID 44287513
3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)-1H-indole
CID 3822673
6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 6411852

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 138982742) is N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is Fc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3sc4ccccc4n23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is VWIHQKGSNCQHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4S/c24-14-9-11-15(12-10-14)26-22-21(17-13-25-18-6-2-1-5-16(17)18)27-23-28(22)19-7-3-4-8-20(19)29-23/h1-13,25-26H.
What are the key properties of N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 398.47 g/mol, XLogP of 6.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1H-indol-3-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 138982742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).