(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

C8H7Br2N3OS — CID 102843130

IUPAC(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2cc(Br)c(Br)s2)no1
InChIInChI=1S/C8H7Br2N3OS/c1-3-12-8(13-14-3)6(11)5-2-4(9)7(10)15-5/h2,6H,11H2,1H3
InChIKeyJSMJLQXKKMPDJE-UHFFFAOYSA-N
MW353.04 g/mol
LogP3.01
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine

(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 102843130) has the molecular formula C8H7Br2N3OS and a molecular weight of 353.04 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID102843130
Molecular FormulaC8H7Br2N3OS
Molecular Weight353.04 g/mol
Exact Mass350.87
IUPAC Name(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCc1nc(C(N)c2cc(Br)c(Br)s2)no1
InChIInChI=1S/C8H7Br2N3OS/c1-3-12-8(13-14-3)6(11)5-2-4(9)7(10)15-5/h2,6H,11H2,1H3
InChIKeyJSMJLQXKKMPDJE-UHFFFAOYSA-N
XLogP3.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
(4-bromophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559286
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 80538772
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(5-methyl-1,2,4-oxadiazol-3-yl)-naphthalen-2-ylmethanamine
CID 43559249
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 80533218
(4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559285

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine (CID 102843130) is (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is Cc1nc(C(N)c2cc(Br)c(Br)s2)no1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is JSMJLQXKKMPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3OS/c1-3-12-8(13-14-3)6(11)5-2-4(9)7(10)15-5/h2,6H,11H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine?
(4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 353.04 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 102843130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).