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

C13H19BrN4OS — CID 106959489

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)Cc2csc(Br)c2)o1
InChIInChI=1S/C13H19BrN4OS/c1-4-5-15-9(2)12-16-17-13(19-12)18(3)7-10-6-11(14)20-8-10/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyXLLITJBMKMMJMQ-UHFFFAOYSA-N
MW359.29 g/mol
LogP3.59
Rot. Bonds7

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

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959489) has the molecular formula C13H19BrN4OS and a molecular weight of 359.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959489
Molecular FormulaC13H19BrN4OS
Molecular Weight359.29 g/mol
Exact Mass358.05
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)Cc2csc(Br)c2)o1
InChIInChI=1S/C13H19BrN4OS/c1-4-5-15-9(2)12-16-17-13(19-12)18(3)7-10-6-11(14)20-8-10/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyXLLITJBMKMMJMQ-UHFFFAOYSA-N
XLogP3.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-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

N-[(5-bromothiophen-3-yl)methyl]-5-[(tert-butylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106959491
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969331
1-[[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]cyclopentan-1-ol
CID 106965603
N-[(5-chlorothiophen-2-yl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106970129
N,2-dimethyl-3-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106967445
N-[(5-bromothiophen-3-yl)methyl]-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
CID 63532085
N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62753618
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
N-cyclopropyl-2-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106971142
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62463683

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106959489) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(N(C)Cc2csc(Br)c2)o1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XLLITJBMKMMJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4OS/c1-4-5-15-9(2)12-16-17-13(19-12)18(3)7-10-6-11(14)20-8-10/h6,8-9,15H,4-5,7H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 359.29 g/mol, XLogP of 3.59, 7 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]-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).