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

C13H22N2OS — CID 115090612

IUPAC1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCCN2C(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)15-7-5-4-6-11(15)13-14-8-12(17-13)10(3)16/h8-11,16H,4-7H2,1-3H3
InChIKeyQBFGHMAFRRHFJY-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.13
Rot. Bonds3

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

1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 115090612) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID115090612
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCCN2C(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)15-7-5-4-6-11(15)13-14-8-12(17-13)10(3)16/h8-11,16H,4-7H2,1-3H3
InChIKeyQBFGHMAFRRHFJY-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole-5-carbaldehyde
CID 115090621
1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090336
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol
CID 115085814
1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol
CID 115088348
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
CID 104692502
1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090687
1-(2-piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
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
(1R)-1-[2-(1,3-dioxolan-2-yl)-1,3-thiazol-5-yl]ethanol
CID 98041177
2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol (CID 115090612) is 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(C2CCCCN2C(C)C)s1.
What is the InChIKey of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is QBFGHMAFRRHFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)15-7-5-4-6-11(15)13-14-8-12(17-13)10(3)16/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 3.13, 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-2-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115090612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).