6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol

C11H13N3OS — CID 79794984

IUPAC6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCCc2cscn2)nc1
InChIInChI=1S/C11H13N3OS/c15-11-2-1-9(13-6-11)5-12-4-3-10-7-16-8-14-10/h1-2,6-8,12,15H,3-5H2
InChIKeyIBMTZLICXSPASP-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.58
Rot. Bonds5

About 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol

6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol (PubChem CID 79794984) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
PubChem CID79794984
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCCc2cscn2)nc1
InChIInChI=1S/C11H13N3OS/c15-11-2-1-9(13-6-11)5-12-4-3-10-7-16-8-14-10/h1-2,6-8,12,15H,3-5H2
InChIKeyIBMTZLICXSPASP-UHFFFAOYSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[(6-chloro-3-pyridinyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115683711
2-methyl-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 112554922
2-bromo-6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829529
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
5-methoxy-2-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]phenol
CID 63829548
6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79793918
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63831322
6-[(2-cyclopropylethylamino)methyl]pyridin-3-ol
CID 79794912
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829341

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol (CID 79794984) is 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol is Oc1ccc(CNCCc2cscn2)nc1.
What is the InChIKey of 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol?
The InChIKey is IBMTZLICXSPASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-11-2-1-9(13-6-11)5-12-4-3-10-7-16-8-14-10/h1-2,6-8,12,15H,3-5H2.
What are the key properties of 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol?
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol has a molecular weight of 235.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79794984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).