3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol

C10H16N2O2S — CID 115896432

IUPAC3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1cscn1
InChIInChI=1S/C10H16N2O2S/c1-8(9-4-15-7-12-9)11-5-10(13)2-3-14-6-10/h4,7-8,11,13H,2-3,5-6H2,1H3
InChIKeyZGNDNEAIXUBIGF-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.95
Rot. Bonds4

About 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol

3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol (PubChem CID 115896432) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
PubChem CID115896432
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1cscn1
InChIInChI=1S/C10H16N2O2S/c1-8(9-4-15-7-12-9)11-5-10(13)2-3-14-6-10/h4,7-8,11,13H,2-3,5-6H2,1H3
InChIKeyZGNDNEAIXUBIGF-UHFFFAOYSA-N
XLogP0.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103903502
N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
CID 113344938
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
3-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]oxolan-3-ol
CID 103904866
N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879207
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 104628589
(3S)-3-[[[(1S)-1-(5-ethylfuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 97108238
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
4-[(1-thiophen-3-ylethylamino)methyl]oxan-4-ol
CID 81130842

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol (CID 115896432) is 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1cscn1.
What is the InChIKey of 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is ZGNDNEAIXUBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(9-4-15-7-12-9)11-5-10(13)2-3-14-6-10/h4,7-8,11,13H,2-3,5-6H2,1H3.
What are the key properties of 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 228.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 115896432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).