2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol

C9H14N2OS — CID 112488164

IUPAC2-(5-methyl-1,2-thiazol-3-yl)piperidin-3-ol
SMILESCC1=CC(=NS1)C2C(CCCN2)O
InChIInChI=1S/C9H14N2OS/c1-6-5-7(11-13-6)9-8(12)3-2-4-10-9/h5,8-10,12H,2-4H2,1H3
InChIKeyRIHIOZPFDRNKAQ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.70
Rot. Bonds1

About 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol

2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol (PubChem CID 112488164) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(5-methyl-1,2-thiazol-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol
PubChem CID112488164
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(5-methyl-1,2-thiazol-3-yl)piperidin-3-ol
SMILESCC1=CC(=NS1)C2C(CCCN2)O
InChIInChI=1S/C9H14N2OS/c1-6-5-7(11-13-6)9-8(12)3-2-4-10-9/h5,8-10,12H,2-4H2,1H3
InChIKeyRIHIOZPFDRNKAQ-UHFFFAOYSA-N
XLogP0.70
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol?
The IUPAC name of 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol (CID 112488164) is 2-(5-methyl-1,2-thiazol-3-yl)piperidin-3-ol.
What is the SMILES notation for 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol?
The canonical SMILES for 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol is CC1=CC(=NS1)C2C(CCCN2)O.
What is the InChIKey of 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol?
The InChIKey is RIHIOZPFDRNKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-5-7(11-13-6)9-8(12)3-2-4-10-9/h5,8-10,12H,2-4H2,1H3.
What are the key properties of 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol?
2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-Methyl-1,2-thiazol-3-yl)piperidin-3-ol is sourced from PubChem (CID 112488164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).