1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine

C10H17N9OS2 — CID 20537949

IUPAC1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine
SMILESN#CN/C(=N\CCO)NCCSCc1nsc(N=C(N)N)n1
InChIInChI=1S/C10H17N9OS2/c11-6-16-9(14-1-3-20)15-2-4-21-5-7-17-10(22-19-7)18-8(12)13/h20H,1-5H2,(H2,14,15,16)(H4,12,13,17,18,19)
InChIKeyWRWJRDFHQMWOOZ-UHFFFAOYSA-N
MW343.44 g/mol
LogP-1.32
Rot. Bonds8

About 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine

1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine (PubChem CID 20537949) has the molecular formula C10H17N9OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine
PubChem CID20537949
Molecular FormulaC10H17N9OS2
Molecular Weight343.44 g/mol
Exact Mass343.10
IUPAC Name1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine
SMILESN#CN/C(=N\CCO)NCCSCc1nsc(N=C(N)N)n1
InChIInChI=1S/C10H17N9OS2/c11-6-16-9(14-1-3-20)15-2-4-21-5-7-17-10(22-19-7)18-8(12)13/h20H,1-5H2,(H2,14,15,16)(H4,12,13,17,18,19)
InChIKeyWRWJRDFHQMWOOZ-UHFFFAOYSA-N
XLogP-1.32
TPSA170.62 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine (CID 20537949) is 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine is N#CN/C(=N\CCO)NCCSCc1nsc(N=C(N)N)n1.
What is the InChIKey of 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine?
The InChIKey is WRWJRDFHQMWOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N9OS2/c11-6-16-9(14-1-3-20)15-2-4-21-5-7-17-10(22-19-7)18-8(12)13/h20H,1-5H2,(H2,14,15,16)(H4,12,13,17,18,19).
What are the key properties of 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine?
1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine has a molecular weight of 343.44 g/mol, XLogP of -1.32, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-[2-[[5-(diaminomethylideneamino)-1,2,4-thiadiazol-3-yl]methylsulfanyl]ethyl]-2-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 20537949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).