2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol

C9H14N2OS — CID 116889857

IUPAC2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol
SMILESCN1CCC(c2nc(O)cs2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-7(3-5-11)9-10-8(12)6-13-9/h6-7,12H,2-5H2,1H3
InChIKeyKUDYCHQXIGDZCW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.66
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol

2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol (PubChem CID 116889857) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol
PubChem CID116889857
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol
SMILESCN1CCC(c2nc(O)cs2)CC1
InChIInChI=1S/C9H14N2OS/c1-11-4-2-7(3-5-11)9-10-8(12)6-13-9/h6-7,12H,2-5H2,1H3
InChIKeyKUDYCHQXIGDZCW-UHFFFAOYSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol (CID 116889857) is 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol is CN1CCC(c2nc(O)cs2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol?
The InChIKey is KUDYCHQXIGDZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-4-2-7(3-5-11)9-10-8(12)6-13-9/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol?
2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol has a molecular weight of 198.29 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).