1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol

C11H18N2OS — CID 115088902

IUPAC1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CC2CCCNC2)n1
InChIInChI=1S/C11H18N2OS/c1-8(14)10-7-15-11(13-10)5-9-3-2-4-12-6-9/h7-9,12,14H,2-6H2,1H3
InChIKeyGCJSZNRQPOZZKE-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol

1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 115088902) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
PubChem CID115088902
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(CC2CCCNC2)n1
InChIInChI=1S/C11H18N2OS/c1-8(14)10-7-15-11(13-10)5-9-3-2-4-12-6-9/h7-9,12,14H,2-6H2,1H3
InChIKeyGCJSZNRQPOZZKE-UHFFFAOYSA-N
XLogP1.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115088115
2-(azetidin-3-ylmethyl)-4-piperidin-3-yl-1,3-thiazole
CID 115042270
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010
1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84792291
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115087985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol (CID 115088902) is 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(CC2CCCNC2)n1.
What is the InChIKey of 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is GCJSZNRQPOZZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(14)10-7-15-11(13-10)5-9-3-2-4-12-6-9/h7-9,12,14H,2-6H2,1H3.
What are the key properties of 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 115088902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).