N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine

C6H10N2OS — CID 83871972

IUPACN-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine
SMILESCNCc1cc(SC)no1
InChIInChI=1S/C6H10N2OS/c1-7-4-5-3-6(10-2)8-9-5/h3,7H,4H2,1-2H3
InChIKeyRUPZURSQMDEXLU-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.12
Rot. Bonds3

About N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine

N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine (PubChem CID 83871972) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine
PubChem CID83871972
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC NameN-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine
SMILESCNCc1cc(SC)no1
InChIInChI=1S/C6H10N2OS/c1-7-4-5-3-6(10-2)8-9-5/h3,7H,4H2,1-2H3
InChIKeyRUPZURSQMDEXLU-UHFFFAOYSA-N
XLogP1.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine (CID 83871972) is N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine is CNCc1cc(SC)no1.
What is the InChIKey of N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is RUPZURSQMDEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-7-4-5-3-6(10-2)8-9-5/h3,7H,4H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine?
N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 158.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylsulfanyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 83871972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).