5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine

C7H10N2O3S — CID 115022533

IUPAC5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C7H10N2O3S/c8-7-9-3-6(12-7)5-1-2-13(10,11)4-5/h3,5H,1-2,4H2,(H2,8,9)
InChIKeyXCKUUBAEOQPQBQ-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.16
Rot. Bonds1

About 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine

5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine (PubChem CID 115022533) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine
PubChem CID115022533
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine
SMILESNc1ncc(C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C7H10N2O3S/c8-7-9-3-6(12-7)5-1-2-13(10,11)4-5/h3,5H,1-2,4H2,(H2,8,9)
InChIKeyXCKUUBAEOQPQBQ-UHFFFAOYSA-N
XLogP0.16
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine (CID 115022533) is 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine is Nc1ncc(C2CCS(=O)(=O)C2)o1.
What is the InChIKey of 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine?
The InChIKey is XCKUUBAEOQPQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c8-7-9-3-6(12-7)5-1-2-13(10,11)4-5/h3,5H,1-2,4H2,(H2,8,9).
What are the key properties of 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine?
5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine has a molecular weight of 202.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiolan-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 115022533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).