3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol

C12H14N2OS — CID 80525921

IUPAC3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1cccs1
InChIInChI=1S/C12H14N2OS/c13-8-10(9-3-5-14-6-4-9)12(15)11-2-1-7-16-11/h1-7,10,12,15H,8,13H2
InChIKeyJKIHUWQVZUCABM-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.92
Rot. Bonds4

About 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol

3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol (PubChem CID 80525921) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
PubChem CID80525921
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1cccs1
InChIInChI=1S/C12H14N2OS/c13-8-10(9-3-5-14-6-4-9)12(15)11-2-1-7-16-11/h1-7,10,12,15H,8,13H2
InChIKeyJKIHUWQVZUCABM-UHFFFAOYSA-N
XLogP1.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189371
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
3-amino-2-(3,4-dimethylphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189679
3-amino-1-(4-methoxythiophen-2-yl)-2-pyridin-4-ylpropan-1-ol
CID 81129359
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-thiophen-2-ylpropan-1-ol
CID 65189566
3-amino-2-(2-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 65190276
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol (CID 80525921) is 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol is NCC(c1ccncc1)C(O)c1cccs1.
What is the InChIKey of 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is JKIHUWQVZUCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-8-10(9-3-5-14-6-4-9)12(15)11-2-1-7-16-11/h1-7,10,12,15H,8,13H2.
What are the key properties of 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol?
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 234.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 80525921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).