[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol

C12H20N2OS — CID 82191369

IUPAC[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCC1CCN(CCc2ncc(CO)s2)CC1
InChIInChI=1S/C12H20N2OS/c1-10-2-5-14(6-3-10)7-4-12-13-8-11(9-15)16-12/h8,10,15H,2-7,9H2,1H3
InChIKeyLMMWWLJMVNWYFQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.91
Rot. Bonds4

About [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol

[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82191369) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
PubChem CID82191369
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
SMILESCC1CCN(CCc2ncc(CO)s2)CC1
InChIInChI=1S/C12H20N2OS/c1-10-2-5-14(6-3-10)7-4-12-13-8-11(9-15)16-12/h8,10,15H,2-7,9H2,1H3
InChIKeyLMMWWLJMVNWYFQ-UHFFFAOYSA-N
XLogP1.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.91
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)ethyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol (CID 82191369) is [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol is CC1CCN(CCc2ncc(CO)s2)CC1.
What is the InChIKey of [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is LMMWWLJMVNWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-2-5-14(6-3-10)7-4-12-13-8-11(9-15)16-12/h8,10,15H,2-7,9H2,1H3.
What are the key properties of [2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol?
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 240.37 g/mol, XLogP of 1.91, 4 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)ethyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82191369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).