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

C12H11Cl2N5S — CID 65476228

IUPAC5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1NCCCn1ccnc1
InChIInChI=1S/C12H11Cl2N5S/c13-8-6-9(14)11-12(18-20-17-11)10(8)16-2-1-4-19-5-3-15-7-19/h3,5-7,16H,1-2,4H2
InChIKeyGTXKVYKOMIAYNY-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.70
Rot. Bonds5

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

5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine (PubChem CID 65476228) has the molecular formula C12H11Cl2N5S and a molecular weight of 328.23 g/mol. Its IUPAC name is 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine
PubChem CID65476228
Molecular FormulaC12H11Cl2N5S
Molecular Weight328.23 g/mol
Exact Mass327.01
IUPAC Name5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine
SMILESClc1cc(Cl)c2nsnc2c1NCCCn1ccnc1
InChIInChI=1S/C12H11Cl2N5S/c13-8-6-9(14)11-12(18-20-17-11)10(8)16-2-1-4-19-5-3-15-7-19/h3,5-7,16H,1-2,4H2
InChIKeyGTXKVYKOMIAYNY-UHFFFAOYSA-N
XLogP3.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,7-dichloro-N-(3-imidazol-1-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

Related Compounds

2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
5-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2,2-dimethylpentanenitrile
CID 65473689
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
2-chloro-N-(3-imidazol-1-ylpropyl)pteridin-4-amine
CID 82459615
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
8-chloro-4-(3-imidazol-1-ylpropylamino)quinoline-3-carbonitrile
CID 91953630
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
5,7-dichloro-N-[(1-ethylimidazol-2-yl)methyl]-2,1,3-benzothiadiazol-4-amine
CID 62350460
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
5-bromo-N-(3-imidazol-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 64623662
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine (CID 65476228) is 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine is Clc1cc(Cl)c2nsnc2c1NCCCn1ccnc1.
What is the InChIKey of 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
The InChIKey is GTXKVYKOMIAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5S/c13-8-6-9(14)11-12(18-20-17-11)10(8)16-2-1-4-19-5-3-15-7-19/h3,5-7,16H,1-2,4H2.
What are the key properties of 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine?
5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine has a molecular weight of 328.23 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 65476228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).