ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine

C7H14N4OS — CID 155749046

IUPACethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCC.CO/N=C(/C)c1nsc(N)n1
InChIInChI=1S/C5H8N4OS.C2H6/c1-3(8-10-2)4-7-5(6)11-9-4;1-2/h1-2H3,(H2,6,7,9);1-2H3/b8-3-;
InChIKeyZMRBYEZHVYNTMS-NGRDVXTNSA-N
MW202.28 g/mol
LogP1.52
Rot. Bonds2

About ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine

ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (PubChem CID 155749046) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Nameethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
PubChem CID155749046
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Nameethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCC.CO/N=C(/C)c1nsc(N)n1
InChIInChI=1S/C5H8N4OS.C2H6/c1-3(8-10-2)4-7-5(6)11-9-4;1-2/h1-2H3,(H2,6,7,9);1-2H3/b8-3-;
InChIKeyZMRBYEZHVYNTMS-NGRDVXTNSA-N
XLogP1.52
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (CID 155749046) is ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is CC.CO/N=C(/C)c1nsc(N)n1.
What is the InChIKey of ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZMRBYEZHVYNTMS-NGRDVXTNSA-N. The full InChI is InChI=1S/C5H8N4OS.C2H6/c1-3(8-10-2)4-7-5(6)11-9-4;1-2/h1-2H3,(H2,6,7,9);1-2H3/b8-3-;.
What are the key properties of ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 202.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155749046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).