1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol

C13H22N2OS — CID 115090336

IUPAC1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCN(C(C)C)C2)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)15-6-4-5-11(8-15)13-14-7-12(17-13)10(3)16/h7,9-11,16H,4-6,8H2,1-3H3
InChIKeyWXJLICXYJCZMMW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.78
Rot. Bonds3

About 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 115090336) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID115090336
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCN(C(C)C)C2)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)15-6-4-5-11(8-15)13-14-7-12(17-13)10(3)16/h7,9-11,16H,4-6,8H2,1-3H3
InChIKeyWXJLICXYJCZMMW-UHFFFAOYSA-N
XLogP2.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090387
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
1-[2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]ethanol
CID 62653204
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090326
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
CID 115090612
1-(2-piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089779
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol
CID 98041177
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091118
6-[(3S)-1-propan-2-ylpiperidin-3-yl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95509767

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol (CID 115090336) is 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(C2CCCN(C(C)C)C2)s1.
What is the InChIKey of 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is WXJLICXYJCZMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)15-6-4-5-11(8-15)13-14-7-12(17-13)10(3)16/h7,9-11,16H,4-6,8H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115090336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).