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

C6H11N3S — CID 59939502

IUPACN-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine
SMILESCNCc1cnc(SC)[nH]1
InChIInChI=1S/C6H11N3S/c1-7-3-5-4-8-6(9-5)10-2/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyKNWCHEUXXOOXBD-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.85
Rot. Bonds3

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

N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine (PubChem CID 59939502) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine
PubChem CID59939502
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine
SMILESCNCc1cnc(SC)[nH]1
InChIInChI=1S/C6H11N3S/c1-7-3-5-4-8-6(9-5)10-2/h4,7H,3H2,1-2H3,(H,8,9)
InChIKeyKNWCHEUXXOOXBD-UHFFFAOYSA-N
XLogP0.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine (CID 59939502) is N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine is CNCc1cnc(SC)[nH]1.
What is the InChIKey of N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
The InChIKey is KNWCHEUXXOOXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-7-3-5-4-8-6(9-5)10-2/h4,7H,3H2,1-2H3,(H,8,9).
What are the key properties of N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine?
N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine has a molecular weight of 157.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylsulfanyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 59939502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).