1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine

C23H25N5OS — CID 59643598

IUPAC1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nnc(CCc4nc5ccccc5s4)o3)cc2)C1
InChIInChI=1S/C23H25N5OS/c1-27(2)18-13-14-28(15-18)17-9-7-16(8-10-17)23-26-25-21(29-23)11-12-22-24-19-5-3-4-6-20(19)30-22/h3-10,18H,11-15H2,1-2H3
InChIKeyOGUOHCPVLADMKP-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.27
Rot. Bonds6

About 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine

1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 59643598) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID59643598
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(-c3nnc(CCc4nc5ccccc5s4)o3)cc2)C1
InChIInChI=1S/C23H25N5OS/c1-27(2)18-13-14-28(15-18)17-9-7-16(8-10-17)23-26-25-21(29-23)11-12-22-24-19-5-3-4-6-20(19)30-22/h3-10,18H,11-15H2,1-2H3
InChIKeyOGUOHCPVLADMKP-UHFFFAOYSA-N
XLogP4.27
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-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,N-dimethyl-1-[4-[5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 59643580
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
N,N-dimethyl-1-[4-[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 59643565
N,N-dimethyl-1-[4-[5-[4-(3-methylbutoxy)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 59643567
2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 55625854
[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68574706
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 59454427
2-[[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 90500697
4-(1,3-benzothiazol-2-yl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 58867017
N,N-dimethyl-1-[4-[5-[(1E,3E,4Z)-6-propan-2-yloxy-3-propylidenehepta-1,4-dienyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidin-3-amine
CID 143081326

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine (CID 59643598) is 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2ccc(-c3nnc(CCc4nc5ccccc5s4)o3)cc2)C1.
What is the InChIKey of 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is OGUOHCPVLADMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-27(2)18-13-14-28(15-18)17-9-7-16(8-10-17)23-26-25-21(29-23)11-12-22-24-19-5-3-4-6-20(19)30-22/h3-10,18H,11-15H2,1-2H3.
What are the key properties of 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine?
1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 419.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 59643598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).