2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine

C11H12BrN3OS — CID 62255249

IUPAC2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SC(CN)c2cccc(Br)c2)o1
InChIInChI=1S/C11H12BrN3OS/c1-7-14-15-11(16-7)17-10(6-13)8-3-2-4-9(12)5-8/h2-5,10H,6,13H2,1H3
InChIKeyWOHSOEPXWWHPCS-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.93
Rot. Bonds4

About 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine

2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 62255249) has the molecular formula C11H12BrN3OS and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
PubChem CID62255249
Molecular FormulaC11H12BrN3OS
Molecular Weight314.21 g/mol
Exact Mass312.99
IUPAC Name2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SC(CN)c2cccc(Br)c2)o1
InChIInChI=1S/C11H12BrN3OS/c1-7-14-15-11(16-7)17-10(6-13)8-3-2-4-9(12)5-8/h2-5,10H,6,13H2,1H3
InChIKeyWOHSOEPXWWHPCS-UHFFFAOYSA-N
XLogP2.93
TPSA64.94 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
2-(3-bromophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 115382936
2-(3-bromophenyl)-2-(4-tert-butylphenyl)sulfanylethanamine
CID 63539247
3-bromo-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]aniline
CID 62582268
2-(3-bromophenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 55018489
2-(3-bromophenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55225543
2-(3-bromophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62875603
2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
CID 62804598
[3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62255617
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
CID 106922000
2-(4-bromophenyl)sulfanyl-2-(3-chlorophenyl)ethanamine
CID 55019714

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine (CID 62255249) is 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine is Cc1nnc(SC(CN)c2cccc(Br)c2)o1.
What is the InChIKey of 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is WOHSOEPXWWHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS/c1-7-14-15-11(16-7)17-10(6-13)8-3-2-4-9(12)5-8/h2-5,10H,6,13H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine?
2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 314.21 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 62255249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).