3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol

C13H16N2OS — CID 80525924

IUPAC3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccccn1
InChIInChI=1S/C13H16N2OS/c1-9-7-17-8-11(9)13(16)10(6-14)12-4-2-3-5-15-12/h2-5,7-8,10,13,16H,6,14H2,1H3
InChIKeyRQUXYOTZKJUMKZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.23
Rot. Bonds4

About 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol

3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol (PubChem CID 80525924) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
PubChem CID80525924
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol
SMILESCc1cscc1C(O)C(CN)c1ccccn1
InChIInChI=1S/C13H16N2OS/c1-9-7-17-8-11(9)13(16)10(6-14)12-4-2-3-5-15-12/h2-5,7-8,10,13,16H,6,14H2,1H3
InChIKeyRQUXYOTZKJUMKZ-UHFFFAOYSA-N
XLogP2.23
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527108
3-amino-1-(2-methyl-1,3-thiazol-4-yl)-2-pyridin-2-ylpropan-1-ol
CID 114031488
3-amino-2-(2-chlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79807640
3-amino-1-(2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527197
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-amino-1-(5-chlorothiophen-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 80526991
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527014
3-amino-2-(2,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808679
1-amino-4-cyclopropyl-2-pyridin-2-ylpentan-3-ol
CID 83150029
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
1-amino-6-phenyl-2-pyridin-2-ylhexan-3-ol
CID 80527008
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol (CID 80525924) is 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol is Cc1cscc1C(O)C(CN)c1ccccn1.
What is the InChIKey of 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol?
The InChIKey is RQUXYOTZKJUMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-7-17-8-11(9)13(16)10(6-14)12-4-2-3-5-15-12/h2-5,7-8,10,13,16H,6,14H2,1H3.
What are the key properties of 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol?
3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methylthiophen-3-yl)-2-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 80525924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).