3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione

C8H12N2OS — CID 55282503

IUPAC3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione
SMILESCC(O)C(N)c1ccc[nH]c1=S
InChIInChI=1S/C8H12N2OS/c1-5(11)7(9)6-3-2-4-10-8(6)12/h2-5,7,11H,9H2,1H3,(H,10,12)
InChIKeyPEAHINHVRPEKQO-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.12
Rot. Bonds2

About 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione

3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione (PubChem CID 55282503) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione
PubChem CID55282503
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione
SMILESCC(O)C(N)c1ccc[nH]c1=S
InChIInChI=1S/C8H12N2OS/c1-5(11)7(9)6-3-2-4-10-8(6)12/h2-5,7,11H,9H2,1H3,(H,10,12)
InChIKeyPEAHINHVRPEKQO-UHFFFAOYSA-N
XLogP1.12
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
3-[(1S)-1-amino-2-methoxyethyl]-1H-pyridine-2-thione
CID 55294327
3-[hydroxy-(4-methylphenyl)methyl]-1H-pyridine-2-thione
CID 3792912
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(3S)-3-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
CID 55273447
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)propan-2-ol
CID 171271209
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
(1S,2S)-1-amino-1-(2,3-diaminophenyl)propan-2-ol
CID 55294728

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione?
The IUPAC name of 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione (CID 55282503) is 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione.
What is the SMILES notation for 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione?
The canonical SMILES for 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione is CC(O)C(N)c1ccc[nH]c1=S.
What is the InChIKey of 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione?
The InChIKey is PEAHINHVRPEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(11)7(9)6-3-2-4-10-8(6)12/h2-5,7,11H,9H2,1H3,(H,10,12).
What are the key properties of 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione?
3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione has a molecular weight of 184.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione is sourced from PubChem (CID 55282503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).