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

C8H8BrN3OS — CID 130702623

IUPACN-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2cscc2Br)o1
InChIInChI=1S/C8H8BrN3OS/c1-5-11-12-8(13-5)10-2-6-3-14-4-7(6)9/h3-4H,2H2,1H3,(H,10,12)
InChIKeyQLEDFNOXAKFRAR-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.81
Rot. Bonds3

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

N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 130702623) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
PubChem CID130702623
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC NameN-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
SMILESCc1nnc(NCc2cscc2Br)o1
InChIInChI=1S/C8H8BrN3OS/c1-5-11-12-8(13-5)10-2-6-3-14-4-7(6)9/h3-4H,2H2,1H3,(H,10,12)
InChIKeyQLEDFNOXAKFRAR-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-[(2,5-dimethylfuran-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924732
N-[(5-bromo-2-chlorophenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924736
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924708
N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924781
2-bromo-N-[(4-bromothiophen-3-yl)methyl]-4,6-dimethylaniline
CID 112739667
N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924783
5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 72874778
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 72863266
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
CID 115751803
3-bromo-4-(bromomethyl)thiophene
CID 13354759

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine (CID 130702623) is N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is Cc1nnc(NCc2cscc2Br)o1.
What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QLEDFNOXAKFRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c1-5-11-12-8(13-5)10-2-6-3-14-4-7(6)9/h3-4H,2H2,1H3,(H,10,12).
What are the key properties of N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine?
N-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-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-[(4-bromothiophen-3-yl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).