2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine

C7H16N4S — CID 68852465

IUPAC2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine
SMILESCSCCCNC1=NCC(N)N1
InChIInChI=1S/C7H16N4S/c1-12-4-2-3-9-7-10-5-6(8)11-7/h6H,2-5,8H2,1H3,(H2,9,10,11)
InChIKeyMBYKXJQVOCMSRO-UHFFFAOYSA-N
MW188.30 g/mol
LogP-0.43
Rot. Bonds4

About 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine

2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine (PubChem CID 68852465) has the molecular formula C7H16N4S and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine
PubChem CID68852465
Molecular FormulaC7H16N4S
Molecular Weight188.30 g/mol
Exact Mass188.11
IUPAC Name2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine
SMILESCSCCCNC1=NCC(N)N1
InChIInChI=1S/C7H16N4S/c1-12-4-2-3-9-7-10-5-6(8)11-7/h6H,2-5,8H2,1H3,(H2,9,10,11)
InChIKeyMBYKXJQVOCMSRO-UHFFFAOYSA-N
XLogP-0.43
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine 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 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
The IUPAC name of 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine (CID 68852465) is 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
The canonical SMILES for 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine is CSCCCNC1=NCC(N)N1.
What is the InChIKey of 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
The InChIKey is MBYKXJQVOCMSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4S/c1-12-4-2-3-9-7-10-5-6(8)11-7/h6H,2-5,8H2,1H3,(H2,9,10,11).
What are the key properties of 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine?
2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine has a molecular weight of 188.30 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylsulfanylpropyl)-4,5-dihydro-1H-imidazole-2,5-diamine is sourced from PubChem (CID 68852465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).