[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine

C21H17FN4OS — CID 122516171

IUPAC[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2CCN3c2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C21H17FN4OS/c22-14-4-5-16-19(11-14)28-21(25-16)26-9-7-15-17(26)2-1-3-18(15)27-20-10-13(12-23)6-8-24-20/h1-6,8,10-11H,7,9,12,23H2
InChIKeyIOWVFWHDGIWANZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.78
Rot. Bonds4

About [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine

[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine (PubChem CID 122516171) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine
PubChem CID122516171
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC Name[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2CCN3c2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C21H17FN4OS/c22-14-4-5-16-19(11-14)28-21(25-16)26-9-7-15-17(26)2-1-3-18(15)27-20-10-13(12-23)6-8-24-20/h1-6,8,10-11H,7,9,12,23H2
InChIKeyIOWVFWHDGIWANZ-UHFFFAOYSA-N
XLogP4.78
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine?
The IUPAC name of [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine (CID 122516171) is [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine is NCc1ccnc(Oc2cccc3c2CCN3c2nc3ccc(F)cc3s2)c1.
What is the InChIKey of [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine?
The InChIKey is IOWVFWHDGIWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c22-14-4-5-16-19(11-14)28-21(25-16)26-9-7-15-17(26)2-1-3-18(15)27-20-10-13(12-23)6-8-24-20/h1-6,8,10-11H,7,9,12,23H2.
What are the key properties of [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine?
[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine has a molecular weight of 392.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydroindol-4-yl]oxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 122516171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).