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

C13H18BrN3OS — CID 51114402

IUPACN-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C13H18BrN3OS/c1-4-5-9(2)17(3)8-12-15-16-13(18-12)10-6-7-11(14)19-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyLIYPWUKKVRARJW-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.18
Rot. Bonds6

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

N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine (PubChem CID 51114402) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine
PubChem CID51114402
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC NameN-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine
SMILESCCCC(C)N(C)Cc1nnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C13H18BrN3OS/c1-4-5-9(2)17(3)8-12-15-16-13(18-12)10-6-7-11(14)19-10/h6-7,9H,4-5,8H2,1-3H3
InChIKeyLIYPWUKKVRARJW-UHFFFAOYSA-N
XLogP4.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
CID 45806529
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(oxolan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 42921610
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 45883891
1-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 34927632
2-[(3,5-Dimethylpiperidin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53537269
2-[1-(4-Propylazepan-1-yl)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 71881665
N-methyl-N-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 95262174
2-Thiophen-2-yl-5-[1-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 53515032
N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclobutanamine
CID 75434573
2-thiophen-2-yl-5-[(1S)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 94871588
2-thiophen-2-yl-5-[(1R)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 95152616
2-thiophen-2-yl-5-[(1S)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 100836399

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine?
The IUPAC name of N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine (CID 51114402) is N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine.
What is the SMILES notation for N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine?
The canonical SMILES for N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine is CCCC(C)N(C)Cc1nnc(-c2ccc(Br)s2)o1.
What is the InChIKey of N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine?
The InChIKey is LIYPWUKKVRARJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c1-4-5-9(2)17(3)8-12-15-16-13(18-12)10-6-7-11(14)19-10/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine?
N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine has a molecular weight of 344.28 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpentan-2-amine is sourced from PubChem (CID 51114402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).