5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine

C13H11Cl2N3S2 — CID 43740882

IUPAC5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine
SMILESCCC(Nc1c(Cl)cc(Cl)c2nsnc12)c1cccs1
InChIInChI=1S/C13H11Cl2N3S2/c1-2-9(10-4-3-5-19-10)16-11-7(14)6-8(15)12-13(11)18-20-17-12/h3-6,9,16H,2H2,1H3
InChIKeyCCSFENZUBRKNNE-UHFFFAOYSA-N
MW344.29 g/mol
LogP5.62
Rot. Bonds4

About 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine

5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 43740882) has the molecular formula C13H11Cl2N3S2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID43740882
Molecular FormulaC13H11Cl2N3S2
Molecular Weight344.29 g/mol
Exact Mass342.98
IUPAC Name5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine
SMILESCCC(Nc1c(Cl)cc(Cl)c2nsnc12)c1cccs1
InChIInChI=1S/C13H11Cl2N3S2/c1-2-9(10-4-3-5-19-10)16-11-7(14)6-8(15)12-13(11)18-20-17-12/h3-6,9,16H,2H2,1H3
InChIKeyCCSFENZUBRKNNE-UHFFFAOYSA-N
XLogP5.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.29
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-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 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine (CID 43740882) is 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine is CCC(Nc1c(Cl)cc(Cl)c2nsnc12)c1cccs1.
What is the InChIKey of 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is CCSFENZUBRKNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3S2/c1-2-9(10-4-3-5-19-10)16-11-7(14)6-8(15)12-13(11)18-20-17-12/h3-6,9,16H,2H2,1H3.
What are the key properties of 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 344.29 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(1-thiophen-2-ylpropyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 43740882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).