N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide

C9H13N7S2 — CID 15572361

IUPACN'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
SMILESN#C/N=C(\N)CCSCc1csc(N=C(N)N)n1
InChIInChI=1S/C9H13N7S2/c10-5-14-7(11)1-2-17-3-6-4-18-9(15-6)16-8(12)13/h4H,1-3H2,(H2,11,14)(H4,12,13,15,16)
InChIKeyDFHYHFAHYAJKDU-UHFFFAOYSA-N
MW283.39 g/mol
LogP0.51
Rot. Bonds6

About N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide

N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide (PubChem CID 15572361) has the molecular formula C9H13N7S2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide.

Molecular Properties

Compound NameN'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
PubChem CID15572361
Molecular FormulaC9H13N7S2
Molecular Weight283.39 g/mol
Exact Mass283.07
IUPAC NameN'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
SMILESN#C/N=C(\N)CCSCc1csc(N=C(N)N)n1
InChIInChI=1S/C9H13N7S2/c10-5-14-7(11)1-2-17-3-6-4-18-9(15-6)16-8(12)13/h4H,1-3H2,(H2,11,14)(H4,12,13,15,16)
InChIKeyDFHYHFAHYAJKDU-UHFFFAOYSA-N
XLogP0.51
TPSA139.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
The IUPAC name of N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide (CID 15572361) is N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide.
What is the SMILES notation for N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
The canonical SMILES for N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide is N#C/N=C(\N)CCSCc1csc(N=C(N)N)n1.
What is the InChIKey of N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
The InChIKey is DFHYHFAHYAJKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S2/c10-5-14-7(11)1-2-17-3-6-4-18-9(15-6)16-8(12)13/h4H,1-3H2,(H2,11,14)(H4,12,13,15,16).
What are the key properties of N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide?
N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide has a molecular weight of 283.39 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide is sourced from PubChem (CID 15572361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).