N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine

C13H14Cl2N4S — CID 65475540

IUPACN-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine
SMILESClc1cc(Cl)c2nsnc2c1N1CCC(NC2CC2)C1
InChIInChI=1S/C13H14Cl2N4S/c14-9-5-10(15)13(12-11(9)17-20-18-12)19-4-3-8(6-19)16-7-1-2-7/h5,7-8,16H,1-4,6H2
InChIKeyGVLNMEJLVBKHTF-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.33
Rot. Bonds3

About N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine

N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine (PubChem CID 65475540) has the molecular formula C13H14Cl2N4S and a molecular weight of 329.26 g/mol. Its IUPAC name is N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine
PubChem CID65475540
Molecular FormulaC13H14Cl2N4S
Molecular Weight329.26 g/mol
Exact Mass328.03
IUPAC NameN-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine
SMILESClc1cc(Cl)c2nsnc2c1N1CCC(NC2CC2)C1
InChIInChI=1S/C13H14Cl2N4S/c14-9-5-10(15)13(12-11(9)17-20-18-12)19-4-3-8(6-19)16-7-1-2-7/h5,7-8,16H,1-4,6H2
InChIKeyGVLNMEJLVBKHTF-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine (CID 65475540) is N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine is Clc1cc(Cl)c2nsnc2c1N1CCC(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine?
The InChIKey is GVLNMEJLVBKHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4S/c14-9-5-10(15)13(12-11(9)17-20-18-12)19-4-3-8(6-19)16-7-1-2-7/h5,7-8,16H,1-4,6H2.
What are the key properties of N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine?
N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine has a molecular weight of 329.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 65475540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).