2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine

C10H16N2O2S — CID 116782575

IUPAC2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
SMILESCCOC1(c2nc(N)cs2)CCOCC1
InChIInChI=1S/C10H16N2O2S/c1-2-14-10(3-5-13-6-4-10)9-12-8(11)7-15-9/h7H,2-6,11H2,1H3
InChIKeyQELDSVRYCIGXEG-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.77
Rot. Bonds3

About 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine

2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine (PubChem CID 116782575) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
PubChem CID116782575
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine
SMILESCCOC1(c2nc(N)cs2)CCOCC1
InChIInChI=1S/C10H16N2O2S/c1-2-14-10(3-5-13-6-4-10)9-12-8(11)7-15-9/h7H,2-6,11H2,1H3
InChIKeyQELDSVRYCIGXEG-UHFFFAOYSA-N
XLogP1.77
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine (CID 116782575) is 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine is CCOC1(c2nc(N)cs2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine?
The InChIKey is QELDSVRYCIGXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-14-10(3-5-13-6-4-10)9-12-8(11)7-15-9/h7H,2-6,11H2,1H3.
What are the key properties of 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine?
2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine has a molecular weight of 228.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 116782575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).