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

C14H19BrN4OS — CID 115304964

IUPAC1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1
InChIInChI=1S/C14H19BrN4OS/c1-14(16-2)5-7-19(8-6-14)9-12-17-18-13(20-12)10-3-4-11(15)21-10/h3-4,16H,5-9H2,1-2H3
InChIKeyLFGGIEHRWDJVOY-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.13
Rot. Bonds4

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

1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115304964) has the molecular formula C14H19BrN4OS and a molecular weight of 371.30 g/mol. Its IUPAC name is 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115304964
Molecular FormulaC14H19BrN4OS
Molecular Weight371.30 g/mol
Exact Mass370.05
IUPAC Name1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1
InChIInChI=1S/C14H19BrN4OS/c1-14(16-2)5-7-19(8-6-14)9-12-17-18-13(20-12)10-3-4-11(15)21-10/h3-4,16H,5-9H2,1-2H3
InChIKeyLFGGIEHRWDJVOY-UHFFFAOYSA-N
XLogP3.13
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine (CID 115304964) is 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1.
What is the InChIKey of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is LFGGIEHRWDJVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4OS/c1-14(16-2)5-7-19(8-6-14)9-12-17-18-13(20-12)10-3-4-11(15)21-10/h3-4,16H,5-9H2,1-2H3.
What are the key properties of 1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine?
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 371.30 g/mol, XLogP of 3.13, 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-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).