1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine

C9H15N5OS — CID 23068450

IUPAC1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine
SMILESCSCc1occc1C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H15N5OS/c1-16-5-7-6(2-3-15-7)4-13-9(12)14-8(10)11/h2-3H,4-5H2,1H3,(H6,10,11,12,13,14)
InChIKeyFTLDRBSUMSWSRY-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.23
Rot. Bonds4

About 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine

1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine (PubChem CID 23068450) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine
PubChem CID23068450
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine
SMILESCSCc1occc1C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H15N5OS/c1-16-5-7-6(2-3-15-7)4-13-9(12)14-8(10)11/h2-3H,4-5H2,1H3,(H6,10,11,12,13,14)
InChIKeyFTLDRBSUMSWSRY-UHFFFAOYSA-N
XLogP0.23
TPSA115.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine 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 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine (CID 23068450) is 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine is CSCc1occc1C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine?
The InChIKey is FTLDRBSUMSWSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-16-5-7-6(2-3-15-7)4-13-9(12)14-8(10)11/h2-3H,4-5H2,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine?
1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine has a molecular weight of 241.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[[2-(methylsulfanylmethyl)furan-3-yl]methyl]guanidine is sourced from PubChem (CID 23068450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).