3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine

C13H24N2OS — CID 116717963

IUPAC3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCCCC(OCC)C(Cc1nccs1)NCC
InChIInChI=1S/C13H24N2OS/c1-4-7-12(16-6-3)11(14-5-2)10-13-15-8-9-17-13/h8-9,11-12,14H,4-7,10H2,1-3H3
InChIKeySMCBVGSLMCLINA-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.87
Rot. Bonds9

About 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine

3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine (PubChem CID 116717963) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
PubChem CID116717963
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine
SMILESCCCC(OCC)C(Cc1nccs1)NCC
InChIInChI=1S/C13H24N2OS/c1-4-7-12(16-6-3)11(14-5-2)10-13-15-8-9-17-13/h8-9,11-12,14H,4-7,10H2,1-3H3
InChIKeySMCBVGSLMCLINA-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105271499
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
CID 116711385
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
3-ethoxy-N-ethyl-1-pyridin-3-ylhexan-2-amine
CID 116718024
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79825138
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894
N-ethyl-5-methoxy-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105169125
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine (CID 116717963) is 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine is CCCC(OCC)C(Cc1nccs1)NCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
The InChIKey is SMCBVGSLMCLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-7-12(16-6-3)11(14-5-2)10-13-15-8-9-17-13/h8-9,11-12,14H,4-7,10H2,1-3H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine?
3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(1,3-thiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 116717963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).