N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

C7H13N3S2 — CID 65268568

IUPACN-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(NC)n1
InChIInChI=1S/C7H13N3S2/c1-3-4-11-5-6-9-7(8-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyZWFOGODVKXOVHE-UHFFFAOYSA-N
MW203.34 g/mol
LogP2.22
Rot. Bonds5

About N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268568) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268568
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCSCc1nsc(NC)n1
InChIInChI=1S/C7H13N3S2/c1-3-4-11-5-6-9-7(8-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyZWFOGODVKXOVHE-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268568) is N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCCSCc1nsc(NC)n1.
What is the InChIKey of N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZWFOGODVKXOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-3-4-11-5-6-9-7(8-2)12-10-6/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 203.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).