N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine

C12H15N3OS — CID 63807547

IUPACN-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCNCc1ccc(Sc2nnc(C)o2)c(C)c1
InChIInChI=1S/C12H15N3OS/c1-8-6-10(7-13-3)4-5-11(8)17-12-15-14-9(2)16-12/h4-6,13H,7H2,1-3H3
InChIKeySUAMZDILAOGHTM-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.56
Rot. Bonds4

About N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine

N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 63807547) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID63807547
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCNCc1ccc(Sc2nnc(C)o2)c(C)c1
InChIInChI=1S/C12H15N3OS/c1-8-6-10(7-13-3)4-5-11(8)17-12-15-14-9(2)16-12/h4-6,13H,7H2,1-3H3
InChIKeySUAMZDILAOGHTM-UHFFFAOYSA-N
XLogP2.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine (CID 63807547) is N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine is CNCc1ccc(Sc2nnc(C)o2)c(C)c1.
What is the InChIKey of N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is SUAMZDILAOGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-6-10(7-13-3)4-5-11(8)17-12-15-14-9(2)16-12/h4-6,13H,7H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine?
N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 63807547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).