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

C8H8BrN3OS — CID 115924839

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2csc(Br)c2)n1
InChIInChI=1S/C8H8BrN3OS/c1-5-11-8(13-12-5)10-3-6-2-7(9)14-4-6/h2,4H,3H2,1H3,(H,10,11,12)
InChIKeySJXPPLLASGWJBX-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.81
Rot. Bonds3

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

N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 115924839) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
PubChem CID115924839
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2csc(Br)c2)n1
InChIInChI=1S/C8H8BrN3OS/c1-5-11-8(13-12-5)10-3-6-2-7(9)14-4-6/h2,4H,3H2,1H3,(H,10,11,12)
InChIKeySJXPPLLASGWJBX-UHFFFAOYSA-N
XLogP2.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-4-methylthiophen-3-amine
CID 115751738
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
N-[(4-fluoro-3-methylphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777296
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106403164
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
CID 75358121
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-5-methylaniline
CID 79054546
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-3-methylaniline
CID 62810399
3-methyl-N-[(4-nitrophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 75498185

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine (CID 115924839) is N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2csc(Br)c2)n1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is SJXPPLLASGWJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c1-5-11-8(13-12-5)10-3-6-2-7(9)14-4-6/h2,4H,3H2,1H3,(H,10,11,12).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine?
N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 274.14 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115924839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).