methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate

C5H7N3OS — CID 176669133

IUPACmethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
SMILES[H]/N=C(\OC)c1nc(C)ns1
InChIInChI=1S/C5H7N3OS/c1-3-7-5(10-8-3)4(6)9-2/h6H,1-2H3/b6-4-
InChIKeyWKGGBHMZUDCDBX-XQRVVYSFSA-N
MW157.20 g/mol
LogP0.82
Rot. Bonds1

About methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate

methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate (PubChem CID 176669133) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate.

Molecular Properties

Compound Namemethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
PubChem CID176669133
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC Namemethyl 3-methyl-1,2,4-thiadiazole-5-carboximidate
SMILES[H]/N=C(\OC)c1nc(C)ns1
InChIInChI=1S/C5H7N3OS/c1-3-7-5(10-8-3)4(6)9-2/h6H,1-2H3/b6-4-
InChIKeyWKGGBHMZUDCDBX-XQRVVYSFSA-N
XLogP0.82
TPSA58.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate?
The IUPAC name of methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate (CID 176669133) is methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate.
What is the SMILES notation for methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate?
The canonical SMILES for methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate is [H]/N=C(\OC)c1nc(C)ns1.
What is the InChIKey of methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate?
The InChIKey is WKGGBHMZUDCDBX-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-3-7-5(10-8-3)4(6)9-2/h6H,1-2H3/b6-4-.
What are the key properties of methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate?
methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate has a molecular weight of 157.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1,2,4-thiadiazole-5-carboximidate is sourced from PubChem (CID 176669133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).