(2-methylsulfanyl-1H-imidazol-5-yl)methanamine

C5H9N3S — CID 54535797

IUPAC(2-methylsulfanyl-1H-imidazol-5-yl)methanamine
SMILESCSc1ncc(CN)[nH]1
InChIInChI=1S/C5H9N3S/c1-9-5-7-3-4(2-6)8-5/h3H,2,6H2,1H3,(H,7,8)
InChIKeyYZRNEWQQNKFZQL-UHFFFAOYSA-N
MW143.22 g/mol
LogP0.59
Rot. Bonds2

About (2-methylsulfanyl-1H-imidazol-5-yl)methanamine

(2-methylsulfanyl-1H-imidazol-5-yl)methanamine (PubChem CID 54535797) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is (2-methylsulfanyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methylsulfanyl-1H-imidazol-5-yl)methanamine
PubChem CID54535797
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC Name(2-methylsulfanyl-1H-imidazol-5-yl)methanamine
SMILESCSc1ncc(CN)[nH]1
InChIInChI=1S/C5H9N3S/c1-9-5-7-3-4(2-6)8-5/h3H,2,6H2,1H3,(H,7,8)
InChIKeyYZRNEWQQNKFZQL-UHFFFAOYSA-N
XLogP0.59
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of (2-methylsulfanyl-1H-imidazol-5-yl)methanamine (CID 54535797) is (2-methylsulfanyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for (2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for (2-methylsulfanyl-1H-imidazol-5-yl)methanamine is CSc1ncc(CN)[nH]1.
What is the InChIKey of (2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
The InChIKey is YZRNEWQQNKFZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-9-5-7-3-4(2-6)8-5/h3H,2,6H2,1H3,(H,7,8).
What are the key properties of (2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
(2-methylsulfanyl-1H-imidazol-5-yl)methanamine has a molecular weight of 143.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 54535797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).