acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine

C5H11N5O2S — CID 158406331

IUPACacetic acid;methanimidamide;1,2,4-thiadiazol-5-amine
SMILESCC(=O)O.Nc1ncns1.[H]/N=C/N
InChIInChI=1S/C2H3N3S.C2H4O2.CH4N2/c3-2-4-1-5-6-2;1-2(3)4;2-1-3/h1H,(H2,3,4,5);1H3,(H,3,4);1H,(H3,2,3)
InChIKeyZVEWDVYBEXQPAG-UHFFFAOYSA-N
MW205.24 g/mol
LogP-0.24
Rot. Bonds

About acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine

acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine (PubChem CID 158406331) has the molecular formula C5H11N5O2S and a molecular weight of 205.24 g/mol. Its IUPAC name is acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Nameacetic acid;methanimidamide;1,2,4-thiadiazol-5-amine
PubChem CID158406331
Molecular FormulaC5H11N5O2S
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC Nameacetic acid;methanimidamide;1,2,4-thiadiazol-5-amine
SMILESCC(=O)O.Nc1ncns1.[H]/N=C/N
InChIInChI=1S/C2H3N3S.C2H4O2.CH4N2/c3-2-4-1-5-6-2;1-2(3)4;2-1-3/h1H,(H2,3,4,5);1H3,(H,3,4);1H,(H3,2,3)
InChIKeyZVEWDVYBEXQPAG-UHFFFAOYSA-N
XLogP-0.24
TPSA138.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze acetic acid;methanimidamide;1,2,4-thiadiazol-5-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 acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine?
The IUPAC name of acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine (CID 158406331) is acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine.
What is the SMILES notation for acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine?
The canonical SMILES for acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine is CC(=O)O.Nc1ncns1.[H]/N=C/N.
What is the InChIKey of acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine?
The InChIKey is ZVEWDVYBEXQPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3S.C2H4O2.CH4N2/c3-2-4-1-5-6-2;1-2(3)4;2-1-3/h1H,(H2,3,4,5);1H3,(H,3,4);1H,(H3,2,3).
What are the key properties of acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine?
acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of -0.24, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 158406331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).