5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol

C10H14N2OS — CID 165456178

IUPAC5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol
SMILESOC1C=C(CCc2ccns2)CNC1
InChIInChI=1S/C10H14N2OS/c13-9-5-8(6-11-7-9)1-2-10-3-4-12-14-10/h3-5,9,11,13H,1-2,6-7H2
InChIKeyIBJMLWGOPGBAIH-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.97
Rot. Bonds3

About 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol

5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol (PubChem CID 165456178) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol.

Molecular Properties

Compound Name5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol
PubChem CID165456178
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol
SMILESOC1C=C(CCc2ccns2)CNC1
InChIInChI=1S/C10H14N2OS/c13-9-5-8(6-11-7-9)1-2-10-3-4-12-14-10/h3-5,9,11,13H,1-2,6-7H2
InChIKeyIBJMLWGOPGBAIH-UHFFFAOYSA-N
XLogP0.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol?
The IUPAC name of 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol (CID 165456178) is 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol.
What is the SMILES notation for 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol?
The canonical SMILES for 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol is OC1C=C(CCc2ccns2)CNC1.
What is the InChIKey of 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol?
The InChIKey is IBJMLWGOPGBAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-9-5-8(6-11-7-9)1-2-10-3-4-12-14-10/h3-5,9,11,13H,1-2,6-7H2.
What are the key properties of 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol?
5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol has a molecular weight of 210.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2-thiazol-5-yl)ethyl]-1,2,3,6-tetrahydropyridin-3-ol is sourced from PubChem (CID 165456178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).