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

C11H13N3OS — CID 103604907

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1nnc(C)o1
InChIInChI=1S/C11H13N3OS/c1-8-13-14-11(15-8)7-12-9-5-3-4-6-10(9)16-2/h3-6,12H,7H2,1-2H3
InChIKeySECJQZKOGXNREF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.71
Rot. Bonds4

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline (PubChem CID 103604907) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
PubChem CID103604907
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1nnc(C)o1
InChIInChI=1S/C11H13N3OS/c1-8-13-14-11(15-8)7-12-9-5-3-4-6-10(9)16-2/h3-6,12H,7H2,1-2H3
InChIKeySECJQZKOGXNREF-UHFFFAOYSA-N
XLogP2.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylaniline
CID 113252858
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 110651650
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
2,6-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651655
2,4-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651633
2-bromo-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914961
2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
CID 107914715
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
CID 43229992
2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914730
4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015399
2,3,4,5,6-pentafluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914791
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline (CID 103604907) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline is CSc1ccccc1NCc1nnc(C)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline?
The InChIKey is SECJQZKOGXNREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-13-14-11(15-8)7-12-9-5-3-4-6-10(9)16-2/h3-6,12H,7H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline has a molecular weight of 235.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline is sourced from PubChem (CID 103604907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).