2-(oxetan-3-yloxy)-1,3-thiazol-5-amine

C6H8N2O2S — CID 102769635

IUPAC2-(oxetan-3-yloxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OC2COC2)s1
InChIInChI=1S/C6H8N2O2S/c7-5-1-8-6(11-5)10-4-2-9-3-4/h1,4H,2-3,7H2
InChIKeyZEJDMHQTFZDFTJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.50
Rot. Bonds2

About 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine

2-(oxetan-3-yloxy)-1,3-thiazol-5-amine (PubChem CID 102769635) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(oxetan-3-yloxy)-1,3-thiazol-5-amine
PubChem CID102769635
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(oxetan-3-yloxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OC2COC2)s1
InChIInChI=1S/C6H8N2O2S/c7-5-1-8-6(11-5)10-4-2-9-3-4/h1,4H,2-3,7H2
InChIKeyZEJDMHQTFZDFTJ-UHFFFAOYSA-N
XLogP0.50
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine (CID 102769635) is 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine is Nc1cnc(OC2COC2)s1.
What is the InChIKey of 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine?
The InChIKey is ZEJDMHQTFZDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-5-1-8-6(11-5)10-4-2-9-3-4/h1,4H,2-3,7H2.
What are the key properties of 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine?
2-(oxetan-3-yloxy)-1,3-thiazol-5-amine has a molecular weight of 172.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yloxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).