3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine

C14H15N3OS — CID 67599933

IUPAC3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine
SMILESNC(CCOc1cccc2[nH]ncc12)c1cccs1
InChIInChI=1S/C14H15N3OS/c15-11(14-5-2-8-19-14)6-7-18-13-4-1-3-12-10(13)9-16-17-12/h1-5,8-9,11H,6-7,15H2,(H,16,17)
InChIKeyQTSJVXBITQQQNY-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.09
Rot. Bonds5

About 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine

3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine (PubChem CID 67599933) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine
PubChem CID67599933
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine
SMILESNC(CCOc1cccc2[nH]ncc12)c1cccs1
InChIInChI=1S/C14H15N3OS/c15-11(14-5-2-8-19-14)6-7-18-13-4-1-3-12-10(13)9-16-17-12/h1-5,8-9,11H,6-7,15H2,(H,16,17)
InChIKeyQTSJVXBITQQQNY-UHFFFAOYSA-N
XLogP3.09
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine (CID 67599933) is 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine is NC(CCOc1cccc2[nH]ncc12)c1cccs1.
What is the InChIKey of 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is QTSJVXBITQQQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-11(14-5-2-8-19-14)6-7-18-13-4-1-3-12-10(13)9-16-17-12/h1-5,8-9,11H,6-7,15H2,(H,16,17).
What are the key properties of 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine?
3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 273.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yloxy)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 67599933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).