8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid

C10H14N4O5S — CID 163333381

IUPAC8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid
SMILESNc1nnc(N2CCC3(CC2)COC(=O)O3)s1.O=CO
InChIInChI=1S/C9H12N4O3S.CH2O2/c10-6-11-12-7(17-6)13-3-1-9(2-4-13)5-15-8(14)16-9;2-1-3/h1-5H2,(H2,10,11);1H,(H,2,3)
InChIKeyROBADGRZRKBVNJ-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.33
Rot. Bonds1

About 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid

8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid (PubChem CID 163333381) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid.

Molecular Properties

Compound Name8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid
PubChem CID163333381
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid
SMILESNc1nnc(N2CCC3(CC2)COC(=O)O3)s1.O=CO
InChIInChI=1S/C9H12N4O3S.CH2O2/c10-6-11-12-7(17-6)13-3-1-9(2-4-13)5-15-8(14)16-9;2-1-3/h1-5H2,(H2,10,11);1H,(H,2,3)
InChIKeyROBADGRZRKBVNJ-UHFFFAOYSA-N
XLogP0.33
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid 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 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid?
The IUPAC name of 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid (CID 163333381) is 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid.
What is the SMILES notation for 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid?
The canonical SMILES for 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid is Nc1nnc(N2CCC3(CC2)COC(=O)O3)s1.O=CO.
What is the InChIKey of 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid?
The InChIKey is ROBADGRZRKBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S.CH2O2/c10-6-11-12-7(17-6)13-3-1-9(2-4-13)5-15-8(14)16-9;2-1-3/h1-5H2,(H2,10,11);1H,(H,2,3).
What are the key properties of 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid?
8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid has a molecular weight of 302.31 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-1,3,4-thiadiazol-2-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one;formic acid is sourced from PubChem (CID 163333381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).