N-methylsulfanyl-1H-imidazol-2-amine

C4H7N3S — CID 163525236

IUPACN-methylsulfanyl-1H-imidazol-2-amine
SMILESCSNc1ncc[nH]1
InChIInChI=1S/C4H7N3S/c1-8-7-4-5-2-3-6-4/h2-3H,1H3,(H2,5,6,7)
InChIKeyDOEIZAHGLHMOLY-UHFFFAOYSA-N
MW129.19 g/mol
LogP1.10
Rot. Bonds2

About N-methylsulfanyl-1H-imidazol-2-amine

N-methylsulfanyl-1H-imidazol-2-amine (PubChem CID 163525236) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is N-methylsulfanyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-methylsulfanyl-1H-imidazol-2-amine
PubChem CID163525236
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameN-methylsulfanyl-1H-imidazol-2-amine
SMILESCSNc1ncc[nH]1
InChIInChI=1S/C4H7N3S/c1-8-7-4-5-2-3-6-4/h2-3H,1H3,(H2,5,6,7)
InChIKeyDOEIZAHGLHMOLY-UHFFFAOYSA-N
XLogP1.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
CID 106580953
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
N-prop-1-en-2-yl-1H-imidazol-2-amine
CID 142057882
N-(1H-imidazol-2-yl)ethanethioamide
CID 54241450
N-ethenyl-1H-imidazol-2-amine
CID 119083694
N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine
CID 86091118
1-N-(1H-imidazol-2-yl)propane-1,2-diamine
CID 139950297
N-(1-methylcyclobutyl)-1H-imidazol-2-amine
CID 106580380
N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine
CID 106582182
N-diaminophosphinimyl-1H-imidazol-2-amine
CID 86091116
N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1H-imidazol-2-amine?
The IUPAC name of N-methylsulfanyl-1H-imidazol-2-amine (CID 163525236) is N-methylsulfanyl-1H-imidazol-2-amine.
What is the SMILES notation for N-methylsulfanyl-1H-imidazol-2-amine?
The canonical SMILES for N-methylsulfanyl-1H-imidazol-2-amine is CSNc1ncc[nH]1.
What is the InChIKey of N-methylsulfanyl-1H-imidazol-2-amine?
The InChIKey is DOEIZAHGLHMOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-8-7-4-5-2-3-6-4/h2-3H,1H3,(H2,5,6,7).
What are the key properties of N-methylsulfanyl-1H-imidazol-2-amine?
N-methylsulfanyl-1H-imidazol-2-amine has a molecular weight of 129.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1H-imidazol-2-amine is sourced from PubChem (CID 163525236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).