N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C13H22N2O2S — CID 116774727

IUPACN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2(OCC)CCOCC2)n1
InChIInChI=1S/C13H22N2O2S/c1-3-14-9-11-10-18-12(15-11)13(17-4-2)5-7-16-8-6-13/h10,14H,3-9H2,1-2H3
InChIKeyVYFFTJUJOPINCW-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.29
Rot. Bonds6

About N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 116774727) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID116774727
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2(OCC)CCOCC2)n1
InChIInChI=1S/C13H22N2O2S/c1-3-14-9-11-10-18-12(15-11)13(17-4-2)5-7-16-8-6-13/h10,14H,3-9H2,1-2H3
InChIKeyVYFFTJUJOPINCW-UHFFFAOYSA-N
XLogP2.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116774707
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774721
N-[[2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774736
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
CID 116782575
N-[[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774761
[2-(1-ethoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]methanol
CID 116782420
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 116777983
methyl 3-[2-(1-ethoxycyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039795
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
methyl 4-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]oxane-4-carboxylate
CID 75504129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 116774727) is N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C2(OCC)CCOCC2)n1.
What is the InChIKey of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is VYFFTJUJOPINCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-14-9-11-10-18-12(15-11)13(17-4-2)5-7-16-8-6-13/h10,14H,3-9H2,1-2H3.
What are the key properties of N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 270.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116774727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).