2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol

C14H24N2OS — CID 115088933

IUPAC2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(C)N1CCCC(Cc2nc(CCO)cs2)C1
InChIInChI=1S/C14H24N2OS/c1-11(2)16-6-3-4-12(9-16)8-14-15-13(5-7-17)10-18-14/h10-12,17H,3-9H2,1-2H3
InChIKeyYNQIIDLEHMKVHI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol

2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 115088933) 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)methyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
PubChem CID115088933
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
SMILESCC(C)N1CCCC(Cc2nc(CCO)cs2)C1
InChIInChI=1S/C14H24N2OS/c1-11(2)16-6-3-4-12(9-16)8-14-15-13(5-7-17)10-18-14/h10-12,17H,3-9H2,1-2H3
InChIKeyYNQIIDLEHMKVHI-UHFFFAOYSA-N
XLogP2.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089019
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088634
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 56827169
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091118
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115094198
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115082307
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazole-5-carbaldehyde
CID 115091074
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115091144

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol (CID 115088933) is 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol is CC(C)N1CCCC(Cc2nc(CCO)cs2)C1.
What is the InChIKey of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is YNQIIDLEHMKVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11(2)16-6-3-4-12(9-16)8-14-15-13(5-7-17)10-18-14/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol?
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 268.43 g/mol, XLogP of 2.34, 5 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)methyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 115088933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).