5-methylsulfanyl-1H-imidazol-2-amine

C4H7N3S — CID 10654246

IUPAC5-methylsulfanyl-1H-imidazol-2-amine
SMILESCSc1cnc(N)[nH]1
InChIInChI=1S/C4H7N3S/c1-8-3-2-6-4(5)7-3/h2H,1H3,(H3,5,6,7)
InChIKeyQMBXWAIUELXFCM-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.71
Rot. Bonds1

About 5-methylsulfanyl-1H-imidazol-2-amine

5-methylsulfanyl-1H-imidazol-2-amine (PubChem CID 10654246) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 5-methylsulfanyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methylsulfanyl-1H-imidazol-2-amine
PubChem CID10654246
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name5-methylsulfanyl-1H-imidazol-2-amine
SMILESCSc1cnc(N)[nH]1
InChIInChI=1S/C4H7N3S/c1-8-3-2-6-4(5)7-3/h2H,1H3,(H3,5,6,7)
InChIKeyQMBXWAIUELXFCM-UHFFFAOYSA-N
XLogP0.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1H-imidazol-2-amine?
The IUPAC name of 5-methylsulfanyl-1H-imidazol-2-amine (CID 10654246) is 5-methylsulfanyl-1H-imidazol-2-amine.
What is the SMILES notation for 5-methylsulfanyl-1H-imidazol-2-amine?
The canonical SMILES for 5-methylsulfanyl-1H-imidazol-2-amine is CSc1cnc(N)[nH]1.
What is the InChIKey of 5-methylsulfanyl-1H-imidazol-2-amine?
The InChIKey is QMBXWAIUELXFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-8-3-2-6-4(5)7-3/h2H,1H3,(H3,5,6,7).
What are the key properties of 5-methylsulfanyl-1H-imidazol-2-amine?
5-methylsulfanyl-1H-imidazol-2-amine has a molecular weight of 129.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1H-imidazol-2-amine is sourced from PubChem (CID 10654246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).