[5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine

C15H14FN3S — CID 57418746

IUPAC[5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine
SMILESCn1ncc2cc(Sc3ccc(F)cc3CN)ccc21
InChIInChI=1S/C15H14FN3S/c1-19-14-4-3-13(7-11(14)9-18-19)20-15-5-2-12(16)6-10(15)8-17/h2-7,9H,8,17H2,1H3
InChIKeyBNIRQAKUALOSKX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.32
Rot. Bonds3

About [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine

[5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine (PubChem CID 57418746) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine
PubChem CID57418746
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name[5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine
SMILESCn1ncc2cc(Sc3ccc(F)cc3CN)ccc21
InChIInChI=1S/C15H14FN3S/c1-19-14-4-3-13(7-11(14)9-18-19)20-15-5-2-12(16)6-10(15)8-17/h2-7,9H,8,17H2,1H3
InChIKeyBNIRQAKUALOSKX-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine?
The IUPAC name of [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine (CID 57418746) is [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine?
The canonical SMILES for [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine is Cn1ncc2cc(Sc3ccc(F)cc3CN)ccc21.
What is the InChIKey of [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine?
The InChIKey is BNIRQAKUALOSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-19-14-4-3-13(7-11(14)9-18-19)20-15-5-2-12(16)6-10(15)8-17/h2-7,9H,8,17H2,1H3.
What are the key properties of [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine?
[5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(1-methylindazol-5-yl)sulfanylphenyl]methanamine is sourced from PubChem (CID 57418746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).