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

C12H20N2OS — CID 82514946

IUPAC2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC1CCN(c2nc(C(C)(C)O)cs2)CC1
InChIInChI=1S/C12H20N2OS/c1-9-4-6-14(7-5-9)11-13-10(8-16-11)12(2,3)15/h8-9,15H,4-7H2,1-3H3
InChIKeyCOOZPSWZZIWJQY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.61
Rot. Bonds2

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

2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 82514946) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID82514946
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC1CCN(c2nc(C(C)(C)O)cs2)CC1
InChIInChI=1S/C12H20N2OS/c1-9-4-6-14(7-5-9)11-13-10(8-16-11)12(2,3)15/h8-9,15H,4-7H2,1-3H3
InChIKeyCOOZPSWZZIWJQY-UHFFFAOYSA-N
XLogP2.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol (CID 82514946) is 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol is CC1CCN(c2nc(C(C)(C)O)cs2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is COOZPSWZZIWJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-4-6-14(7-5-9)11-13-10(8-16-11)12(2,3)15/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 240.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 82514946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).