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

C13H19BrN4OS — CID 106959491

IUPACN-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1csc(Br)c1)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H19BrN4OS/c1-13(2,3)15-6-11-16-17-12(19-11)18(4)7-9-5-10(14)20-8-9/h5,8,15H,6-7H2,1-4H3
InChIKeyYXUHANHEJHXKCU-UHFFFAOYSA-N
MW359.29 g/mol
LogP3.42
Rot. Bonds5

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

N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106959491) has the molecular formula C13H19BrN4OS and a molecular weight of 359.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106959491
Molecular FormulaC13H19BrN4OS
Molecular Weight359.29 g/mol
Exact Mass358.05
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCN(Cc1csc(Br)c1)c1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C13H19BrN4OS/c1-13(2,3)15-6-11-16-17-12(19-11)18(4)7-9-5-10(14)20-8-9/h5,8,15H,6-7H2,1-4H3
InChIKeyYXUHANHEJHXKCU-UHFFFAOYSA-N
XLogP3.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

5-[(tert-butylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106960172
N-[(2-bromophenyl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970749
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959489
N-[(5-bromothiophen-3-yl)methyl]-4-[(tert-butylamino)methyl]-N-methylpyridin-3-amine
CID 105073535
5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959317
5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969217
N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
CID 62462074
5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106961668
N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107965637
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62753618
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80785596

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106959491) is N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is CN(Cc1csc(Br)c1)c1nnc(CNC(C)(C)C)o1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is YXUHANHEJHXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4OS/c1-13(2,3)15-6-11-16-17-12(19-11)18(4)7-9-5-10(14)20-8-9/h5,8,15H,6-7H2,1-4H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 359.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).