N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline

C11H13N3OS — CID 167031329

IUPACN-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline
SMILESCNc1cccc(-c2nnc(C)o2)c1SC
InChIInChI=1S/C11H13N3OS/c1-7-13-14-11(15-7)8-5-4-6-9(12-2)10(8)16-3/h4-6,12H,1-3H3
InChIKeyNYOGHIAVVYKNAQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.81
Rot. Bonds3

About N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline

N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline (PubChem CID 167031329) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline
PubChem CID167031329
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline
SMILESCNc1cccc(-c2nnc(C)o2)c1SC
InChIInChI=1S/C11H13N3OS/c1-7-13-14-11(15-7)8-5-4-6-9(12-2)10(8)16-3/h4-6,12H,1-3H3
InChIKeyNYOGHIAVVYKNAQ-UHFFFAOYSA-N
XLogP2.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline?
The IUPAC name of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline (CID 167031329) is N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline.
What is the SMILES notation for N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline?
The canonical SMILES for N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline is CNc1cccc(-c2nnc(C)o2)c1SC.
What is the InChIKey of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline?
The InChIKey is NYOGHIAVVYKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-13-14-11(15-7)8-5-4-6-9(12-2)10(8)16-3/h4-6,12H,1-3H3.
What are the key properties of N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline?
N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline has a molecular weight of 235.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-methylsulfanylaniline is sourced from PubChem (CID 167031329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).