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

C6H8N4S — CID 154039416

IUPACN'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide
SMILESC=CC(N)=Nc1nc(C)ns1
InChIInChI=1S/C6H8N4S/c1-3-5(7)9-6-8-4(2)10-11-6/h3H,1H2,2H3,(H2,7,8,9,10)
InChIKeyXZLBUPBCILAEBN-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.02
Rot. Bonds2

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

N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide (PubChem CID 154039416) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide.

Molecular Properties

Compound NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide
PubChem CID154039416
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide
SMILESC=CC(N)=Nc1nc(C)ns1
InChIInChI=1S/C6H8N4S/c1-3-5(7)9-6-8-4(2)10-11-6/h3H,1H2,2H3,(H2,7,8,9,10)
InChIKeyXZLBUPBCILAEBN-UHFFFAOYSA-N
XLogP1.02
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.02
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)prop-2-enimidamide?
The IUPAC name of N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide (CID 154039416) is N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide.
What is the SMILES notation for N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide?
The canonical SMILES for N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide is C=CC(N)=Nc1nc(C)ns1.
What is the InChIKey of N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide?
The InChIKey is XZLBUPBCILAEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-3-5(7)9-6-8-4(2)10-11-6/h3H,1H2,2H3,(H2,7,8,9,10).
What are the key properties of N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide?
N'-(3-methyl-1,2,4-thiadiazol-5-yl)prop-2-enimidamide has a molecular weight of 168.22 g/mol, XLogP of 1.02, 2 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)prop-2-enimidamide is sourced from PubChem (CID 154039416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).