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

C11H12BrN3OS — CID 114062051

IUPAC1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1Sc1nnc(C)o1
InChIInChI=1S/C11H12BrN3OS/c1-7-14-15-11(16-7)17-10-4-3-9(12)5-8(10)6-13-2/h3-5,13H,6H2,1-2H3
InChIKeyMJJWTTSGHDPGTF-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.01
Rot. Bonds4

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

1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 114062051) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
PubChem CID114062051
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1Sc1nnc(C)o1
InChIInChI=1S/C11H12BrN3OS/c1-7-14-15-11(16-7)17-10-4-3-9(12)5-8(10)6-13-2/h3-5,13H,6H2,1-2H3
InChIKeyMJJWTTSGHDPGTF-UHFFFAOYSA-N
XLogP3.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]ethanamine
CID 63809489
N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 63807547
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 82969471
4-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
CID 63801877
N-[[5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63807726
1-[5-bromo-2-(1-methyltetrazol-5-yl)sulfanylphenyl]-N-methylmethanamine
CID 114062032
N-[[3-chloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 81160106
N-[1-[3-bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethyl]propan-1-amine
CID 62910715
N-[[5-bromo-2-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 114062087
N-[[4-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 114864502
3-bromo-8-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-5-amine
CID 106949983
1-[4-bromo-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 63809493

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (CID 114062051) is 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is CNCc1cc(Br)ccc1Sc1nnc(C)o1.
What is the InChIKey of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is MJJWTTSGHDPGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-7-14-15-11(16-7)17-10-4-3-9(12)5-8(10)6-13-2/h3-5,13H,6H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 314.21 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114062051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).