N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide

C5H8N4S — CID 119097139

IUPACN'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide
SMILESC/C(N)=N/c1nc(C)ns1
InChIInChI=1S/C5H8N4S/c1-3(6)7-5-8-4(2)9-10-5/h1-2H3,(H2,6,7,8,9)
InChIKeyLORXTROQKXVJKJ-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.86
Rot. Bonds1

About N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide

N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide (PubChem CID 119097139) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide
PubChem CID119097139
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide
SMILESC/C(N)=N/c1nc(C)ns1
InChIInChI=1S/C5H8N4S/c1-3(6)7-5-8-4(2)9-10-5/h1-2H3,(H2,6,7,8,9)
InChIKeyLORXTROQKXVJKJ-UHFFFAOYSA-N
XLogP0.86
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide?
The IUPAC name of N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide (CID 119097139) is N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide.
What is the SMILES notation for N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide?
The canonical SMILES for N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide is C/C(N)=N/c1nc(C)ns1.
What is the InChIKey of N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide?
The InChIKey is LORXTROQKXVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-3(6)7-5-8-4(2)9-10-5/h1-2H3,(H2,6,7,8,9).
What are the key properties of N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide?
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide has a molecular weight of 156.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethanimidamide is sourced from PubChem (CID 119097139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).