[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol

C11H17ClN2O2S — CID 80692404

IUPAC[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCOC1CCCN(c2nc(Cl)c(CO)s2)C1
InChIInChI=1S/C11H17ClN2O2S/c1-2-16-8-4-3-5-14(6-8)11-13-10(12)9(7-15)17-11/h8,15H,2-7H2,1H3
InChIKeyPILXOQAWIHUTGC-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.29
Rot. Bonds4

About [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 80692404) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
PubChem CID80692404
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
SMILESCCOC1CCCN(c2nc(Cl)c(CO)s2)C1
InChIInChI=1S/C11H17ClN2O2S/c1-2-16-8-4-3-5-14(6-8)11-13-10(12)9(7-15)17-11/h8,15H,2-7H2,1H3
InChIKeyPILXOQAWIHUTGC-UHFFFAOYSA-N
XLogP2.29
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63918201
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692314
N-[[2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767596
[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 80693113
[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692510
[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
CID 81199670
2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55112644
[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117381
N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide
CID 102736651
[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692897
N-[[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767587
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321138

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol (CID 80692404) is [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol is CCOC1CCCN(c2nc(Cl)c(CO)s2)C1.
What is the InChIKey of [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is PILXOQAWIHUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-2-16-8-4-3-5-14(6-8)11-13-10(12)9(7-15)17-11/h8,15H,2-7H2,1H3.
What are the key properties of [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 276.79 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).