2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine

C8H15N3S — CID 82237152

IUPAC2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine
SMILESCc1nc(SCC(C)C)c(N)[nH]1
InChIInChI=1S/C8H15N3S/c1-5(2)4-12-8-7(9)10-6(3)11-8/h5H,4,9H2,1-3H3,(H,10,11)
InChIKeySJSJGFKRTWXDDK-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine

2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine (PubChem CID 82237152) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine
PubChem CID82237152
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine
SMILESCc1nc(SCC(C)C)c(N)[nH]1
InChIInChI=1S/C8H15N3S/c1-5(2)4-12-8-7(9)10-6(3)11-8/h5H,4,9H2,1-3H3,(H,10,11)
InChIKeySJSJGFKRTWXDDK-UHFFFAOYSA-N
XLogP2.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine?
The IUPAC name of 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine (CID 82237152) is 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine.
What is the SMILES notation for 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine?
The canonical SMILES for 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine is Cc1nc(SCC(C)C)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine?
The InChIKey is SJSJGFKRTWXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(2)4-12-8-7(9)10-6(3)11-8/h5H,4,9H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine?
2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine has a molecular weight of 185.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine is sourced from PubChem (CID 82237152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).