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

C5H8N4OS — CID 143798484

IUPAC3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCO/N=C(/C)c1nsc(N)n1
InChIInChI=1S/C5H8N4OS/c1-3(8-10-2)4-7-5(6)11-9-4/h1-2H3,(H2,6,7,9)/b8-3-
InChIKeyPIYHFCIIDZYVOE-BAQGIRSFSA-N
MW172.21 g/mol
LogP0.49
Rot. Bonds2

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

3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (PubChem CID 143798484) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
PubChem CID143798484
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine
SMILESCO/N=C(/C)c1nsc(N)n1
InChIInChI=1S/C5H8N4OS/c1-3(8-10-2)4-7-5(6)11-9-4/h1-2H3,(H2,6,7,9)/b8-3-
InChIKeyPIYHFCIIDZYVOE-BAQGIRSFSA-N
XLogP0.49
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.49
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 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine (CID 143798484) is 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is CO/N=C(/C)c1nsc(N)n1.
What is the InChIKey of 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is PIYHFCIIDZYVOE-BAQGIRSFSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-3(8-10-2)4-7-5(6)11-9-4/h1-2H3,(H2,6,7,9)/b8-3-.
What are the key properties of 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine?
3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 172.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-N-methoxy-C-methylcarbonimidoyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 143798484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).