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

C14H24N2OS — CID 115090387

IUPAC2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(C2CCCN(C(C)C)C2)s1
InChIInChI=1S/C14H24N2OS/c1-10(2)16-6-4-5-12(8-16)14-15-7-13(18-14)11(3)9-17/h7,10-12,17H,4-6,8-9H2,1-3H3
InChIKeyXAOASUKOGSBXKB-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.83
Rot. Bonds4

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

2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 115090387) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
PubChem CID115090387
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
SMILESCC(CO)c1cnc(C2CCCN(C(C)C)C2)s1
InChIInChI=1S/C14H24N2OS/c1-10(2)16-6-4-5-12(8-16)14-15-7-13(18-14)11(3)9-17/h7,10-12,17H,4-6,8-9H2,1-3H3
InChIKeyXAOASUKOGSBXKB-UHFFFAOYSA-N
XLogP2.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090336
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091118
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
2-[2-(oxan-4-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115089925
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089779
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115090233
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanol
CID 115089907
[3-(1-propan-2-ylpiperidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149532
2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090518
2-[2-(thian-3-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090378

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol (CID 115090387) is 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol is CC(CO)c1cnc(C2CCCN(C(C)C)C2)s1.
What is the InChIKey of 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is XAOASUKOGSBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)16-6-4-5-12(8-16)14-15-7-13(18-14)11(3)9-17/h7,10-12,17H,4-6,8-9H2,1-3H3.
What are the key properties of 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol?
2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 268.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 115090387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).