1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine

C10H13BrN4OS — CID 114021757

IUPAC1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(-c2csc(Br)c2)n1
InChIInChI=1S/C10H13BrN4OS/c1-15(2)4-7(12)9-13-10(16-14-9)6-3-8(11)17-5-6/h3,5,7H,4,12H2,1-2H3
InChIKeyUGSKPELZJNBMHZ-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.12
Rot. Bonds4

About 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine

1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 114021757) has the molecular formula C10H13BrN4OS and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID114021757
Molecular FormulaC10H13BrN4OS
Molecular Weight317.21 g/mol
Exact Mass316.00
IUPAC Name1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1noc(-c2csc(Br)c2)n1
InChIInChI=1S/C10H13BrN4OS/c1-15(2)4-7(12)9-13-10(16-14-9)6-3-8(11)17-5-6/h3,5,7H,4,12H2,1-2H3
InChIKeyUGSKPELZJNBMHZ-UHFFFAOYSA-N
XLogP2.12
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 107965425
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 107974503
1-[5-(3-bromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635360
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107965393
1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635206
1-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635185
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635074
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 103405255
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclobutyloxyethanamine
CID 107965435
N',N'-dimethyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635334
1-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635308
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine (CID 114021757) is 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)c1noc(-c2csc(Br)c2)n1.
What is the InChIKey of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UGSKPELZJNBMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4OS/c1-15(2)4-7(12)9-13-10(16-14-9)6-3-8(11)17-5-6/h3,5,7H,4,12H2,1-2H3.
What are the key properties of 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine?
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 317.21 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 114021757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).