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

C13H22N2OS — CID 55117427

IUPAC[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N2CCC(C)CC2)sc1CO
InChIInChI=1S/C13H22N2OS/c1-3-4-11-12(9-16)17-13(14-11)15-7-5-10(2)6-8-15/h10,16H,3-9H2,1-2H3
InChIKeyITFSFHIQYKEICU-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.82
Rot. Bonds4

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

[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 55117427) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID55117427
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N2CCC(C)CC2)sc1CO
InChIInChI=1S/C13H22N2OS/c1-3-4-11-12(9-16)17-13(14-11)15-7-5-10(2)6-8-15/h10,16H,3-9H2,1-2H3
InChIKeyITFSFHIQYKEICU-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol (CID 55117427) is [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N2CCC(C)CC2)sc1CO.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is ITFSFHIQYKEICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-4-11-12(9-16)17-13(14-11)15-7-5-10(2)6-8-15/h10,16H,3-9H2,1-2H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).