4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine

C12H20N2O2S — CID 106815894

IUPAC4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine
SMILESCCOCCc1nc(C2(N)CCOCC2)cs1
InChIInChI=1S/C12H20N2O2S/c1-2-15-6-3-11-14-10(9-17-11)12(13)4-7-16-8-5-12/h9H,2-8,13H2,1H3
InChIKeySGVRTLUKMDYGOG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.69
Rot. Bonds5

About 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine

4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine (PubChem CID 106815894) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine
PubChem CID106815894
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine
SMILESCCOCCc1nc(C2(N)CCOCC2)cs1
InChIInChI=1S/C12H20N2O2S/c1-2-15-6-3-11-14-10(9-17-11)12(13)4-7-16-8-5-12/h9H,2-8,13H2,1H3
InChIKeySGVRTLUKMDYGOG-UHFFFAOYSA-N
XLogP1.69
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine?
The IUPAC name of 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine (CID 106815894) is 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine.
What is the SMILES notation for 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine?
The canonical SMILES for 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine is CCOCCc1nc(C2(N)CCOCC2)cs1.
What is the InChIKey of 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine?
The InChIKey is SGVRTLUKMDYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-2-15-6-3-11-14-10(9-17-11)12(13)4-7-16-8-5-12/h9H,2-8,13H2,1H3.
What are the key properties of 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine?
4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine has a molecular weight of 256.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine is sourced from PubChem (CID 106815894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).