1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine

C13H17N3S — CID 141142598

IUPAC1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C13H17N3S/c1-15(2)10-7-8-16(9-10)13-14-11-5-3-4-6-12(11)17-13/h3-6,10H,7-9H2,1-2H3
InChIKeyMPCVVSMIKWJBQC-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.44
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine

1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 141142598) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID141142598
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C13H17N3S/c1-15(2)10-7-8-16(9-10)13-14-11-5-3-4-6-12(11)17-13/h3-6,10H,7-9H2,1-2H3
InChIKeyMPCVVSMIKWJBQC-UHFFFAOYSA-N
XLogP2.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzothiazol-2-yl)-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

1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755
tert-butyl N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 71647039
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275756
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172881655
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435526
2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-benzothiazole
CID 129479789
2-[4-(2,3,4,5,6-pentafluorophenyl)piperidin-1-yl]-1,3-benzothiazole
CID 175245982
1-(1,3-benzothiazol-2-yl)piperidine-3-carbaldehyde
CID 62664339
1-[(3S)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400681

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine (CID 141142598) is 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MPCVVSMIKWJBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-15(2)10-7-8-16(9-10)13-14-11-5-3-4-6-12(11)17-13/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 247.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 141142598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).