N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine

C10H16N2O2S — CID 63333089

IUPACN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine
SMILESCOCCNC1(c2nccs2)CCOC1
InChIInChI=1S/C10H16N2O2S/c1-13-6-3-12-10(2-5-14-8-10)9-11-4-7-15-9/h4,7,12H,2-3,5-6,8H2,1H3
InChIKeyITWOWZLEMJXIQM-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.99
Rot. Bonds5

About N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine

N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine (PubChem CID 63333089) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine
PubChem CID63333089
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine
SMILESCOCCNC1(c2nccs2)CCOC1
InChIInChI=1S/C10H16N2O2S/c1-13-6-3-12-10(2-5-14-8-10)9-11-4-7-15-9/h4,7,12H,2-3,5-6,8H2,1H3
InChIKeyITWOWZLEMJXIQM-UHFFFAOYSA-N
XLogP0.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71868948
4-(1,3-Thiazol-2-yl)oxan-4-amine
CID 61330275
3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propan-1-ol
CID 71986832
3-[3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
CID 71986833
1-(1,3-thiazol-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 64481599
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64481834
1-(1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 64482001
1-(1,3-thiazol-2-yl)-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 65803858
N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 102978104
N-methyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215883
N-propyl-1-(1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215885
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-amine
CID 103475809

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine (CID 63333089) is N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine is COCCNC1(c2nccs2)CCOC1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine?
The InChIKey is ITWOWZLEMJXIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-13-6-3-12-10(2-5-14-8-10)9-11-4-7-15-9/h4,7,12H,2-3,5-6,8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine?
N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine has a molecular weight of 228.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 63333089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).