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

C5H8N4OS — CID 123932344

IUPAC3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine
SMILESCON=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)
InChIKeyPIYHFCIIDZYVOE-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.49
Rot. Bonds2

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

3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine (PubChem CID 123932344) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is 3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine
PubChem CID123932344
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC Name3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine
SMILESCON=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)
InChIKeyPIYHFCIIDZYVOE-UHFFFAOYSA-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-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine (CID 123932344) is 3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine is CON=C(C)c1nsc(N)n1.
What is the InChIKey of 3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PIYHFCIIDZYVOE-UHFFFAOYSA-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).
What are the key properties of 3-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine?
3-(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-(N-methoxy-C-methylcarbonimidoyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 123932344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).