2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine

C10H18N2O2S — CID 78914468

IUPAC2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCOC(CNCc1cscn1)OCC
InChIInChI=1S/C10H18N2O2S/c1-3-13-10(14-4-2)6-11-5-9-7-15-8-12-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyUDXPTGYIUVYFAU-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.63
Rot. Bonds8

About 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine

2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 78914468) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID78914468
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCOC(CNCc1cscn1)OCC
InChIInChI=1S/C10H18N2O2S/c1-3-13-10(14-4-2)6-11-5-9-7-15-8-12-9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyUDXPTGYIUVYFAU-UHFFFAOYSA-N
XLogP1.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
2,2-diethoxy-N-(pyrazin-2-ylmethyl)ethanamine
CID 79548304
2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
ethyl N-[2-(1,3-thiazol-4-ylmethylamino)ethyl]carbamate
CID 115616332

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 78914468) is 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine is CCOC(CNCc1cscn1)OCC.
What is the InChIKey of 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is UDXPTGYIUVYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-13-10(14-4-2)6-11-5-9-7-15-8-12-9/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 230.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 78914468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).