[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C14H24N2OS — CID 79398960

IUPAC[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC1CCC(C)N(c2nc(C(C)C)c(CO)s2)C1
InChIInChI=1S/C14H24N2OS/c1-9(2)13-12(8-17)18-14(15-13)16-7-10(3)5-6-11(16)4/h9-11,17H,5-8H2,1-4H3
InChIKeyXDEYBMVXBMCVIP-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.38
Rot. Bonds3

About [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79398960) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79398960
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC1CCC(C)N(c2nc(C(C)C)c(CO)s2)C1
InChIInChI=1S/C14H24N2OS/c1-9(2)13-12(8-17)18-14(15-13)16-7-10(3)5-6-11(16)4/h9-11,17H,5-8H2,1-4H3
InChIKeyXDEYBMVXBMCVIP-UHFFFAOYSA-N
XLogP3.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79398960) is [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC1CCC(C)N(c2nc(C(C)C)c(CO)s2)C1.
What is the InChIKey of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is XDEYBMVXBMCVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9(2)13-12(8-17)18-14(15-13)16-7-10(3)5-6-11(16)4/h9-11,17H,5-8H2,1-4H3.
What are the key properties of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79398960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).