5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine

C8H15N3S — CID 106580982

IUPAC5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
SMILESCSC(C)CNc1ncc(C)[nH]1
InChIInChI=1S/C8H15N3S/c1-6-4-9-8(11-6)10-5-7(2)12-3/h4,7H,5H2,1-3H3,(H2,9,10,11)
InChIKeyNUNIWCXINRPFDM-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.88
Rot. Bonds4

About 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine

5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine (PubChem CID 106580982) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
PubChem CID106580982
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
SMILESCSC(C)CNc1ncc(C)[nH]1
InChIInChI=1S/C8H15N3S/c1-6-4-9-8(11-6)10-5-7(2)12-3/h4,7H,5H2,1-3H3,(H2,9,10,11)
InChIKeyNUNIWCXINRPFDM-UHFFFAOYSA-N
XLogP1.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine (CID 106580982) is 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine is CSC(C)CNc1ncc(C)[nH]1.
What is the InChIKey of 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
The InChIKey is NUNIWCXINRPFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-4-9-8(11-6)10-5-7(2)12-3/h4,7H,5H2,1-3H3,(H2,9,10,11).
What are the key properties of 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106580982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).