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

C21H15FN4OS — CID 122516337

IUPAC[2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2ccn3-c2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C21H15FN4OS/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/h1-11H,12,23H2
InChIKeyYGNIIMKOTGQNME-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.03
Rot. Bonds4

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

[2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine (PubChem CID 122516337) has the molecular formula C21H15FN4OS and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine
PubChem CID122516337
Molecular FormulaC21H15FN4OS
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name[2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine
SMILESNCc1ccnc(Oc2cccc3c2ccn3-c2nc3ccc(F)cc3s2)c1
InChIInChI=1S/C21H15FN4OS/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/h1-11H,12,23H2
InChIKeyYGNIIMKOTGQNME-UHFFFAOYSA-N
XLogP5.03
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.03
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)indol-4-yl]oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine (CID 122516337) is [2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine is NCc1ccnc(Oc2cccc3c2ccn3-c2nc3ccc(F)cc3s2)c1.
What is the InChIKey of [2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine?
The InChIKey is YGNIIMKOTGQNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4OS/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/h1-11H,12,23H2.
What are the key properties of [2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine?
[2-[1-(6-fluoro-1,3-benzothiazol-2-yl)indol-4-yl]oxy-4-pyridinyl]methanamine has a molecular weight of 390.44 g/mol, XLogP of 5.03, 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)indol-4-yl]oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 122516337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).