5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine

C9H17N3S — CID 62076810

IUPAC5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
SMILESCSCCc1ncn(C(C)C)c1N
InChIInChI=1S/C9H17N3S/c1-7(2)12-6-11-8(9(12)10)4-5-13-3/h6-7H,4-5,10H2,1-3H3
InChIKeyKATBEQYEZBUDDY-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.95
Rot. Bonds4

About 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine

5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62076810) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62076810
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
SMILESCSCCc1ncn(C(C)C)c1N
InChIInChI=1S/C9H17N3S/c1-7(2)12-6-11-8(9(12)10)4-5-13-3/h6-7H,4-5,10H2,1-3H3
InChIKeyKATBEQYEZBUDDY-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-propan-2-ylimidazol-4-amine
CID 62076644
3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine
CID 62081509
5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
CID 103090206
2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62224906
2-cyclopentyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62219183
3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090246
5-chloro-2-(2-methylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine
CID 141154147
3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090250
5-fluoro-6-(2-methylsulfanylethyl)pyridin-3-amine
CID 144516161
6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one
CID 145188187
5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine
CID 62390199
5-amino-1-propan-2-yl-N'-[(Z)-prop-1-enyl]imidazole-4-carboximidamide
CID 126723593

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine (CID 62076810) is 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine is CSCCc1ncn(C(C)C)c1N.
What is the InChIKey of 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is KATBEQYEZBUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7(2)12-6-11-8(9(12)10)4-5-13-3/h6-7H,4-5,10H2,1-3H3.
What are the key properties of 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine?
5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 199.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62076810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).