6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride

C24H20Cl2N6S3 — CID 45378918

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5s4)s3)sc2cc1C1=NCCN1
InChIInChI=1S/C24H18N6S3.2ClH/c1-3-15-19(11-13(1)21-25-7-8-26-21)32-23(29-15)17-5-6-18(31-17)24-30-16-4-2-14(12-20(16)33-24)22-27-9-10-28-22;;/h1-6,11-12H,7-10H2,(H,25,26)(H,27,28);2*1H
InChIKeyXXUQSOBNMVNUQK-UHFFFAOYSA-N
MW559.57 g/mol
LogP5.84
Rot. Bonds4

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride (PubChem CID 45378918) has the molecular formula C24H20Cl2N6S3 and a molecular weight of 559.57 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride
PubChem CID45378918
Molecular FormulaC24H20Cl2N6S3
Molecular Weight559.57 g/mol
Exact Mass558.03
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5s4)s3)sc2cc1C1=NCCN1
InChIInChI=1S/C24H18N6S3.2ClH/c1-3-15-19(11-13(1)21-25-7-8-26-21)32-23(29-15)17-5-6-18(31-17)24-30-16-4-2-14(12-20(16)33-24)22-27-9-10-28-22;;/h1-6,11-12H,7-10H2,(H,25,26)(H,27,28);2*1H
InChIKeyXXUQSOBNMVNUQK-UHFFFAOYSA-N
XLogP5.84
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.57
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride 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 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride (CID 45378918) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride is Cl.Cl.c1cc2nc(-c3ccc(-c4nc5ccc(C6=NCCN6)cc5s4)s3)sc2cc1C1=NCCN1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride?
The InChIKey is XXUQSOBNMVNUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6S3.2ClH/c1-3-15-19(11-13(1)21-25-7-8-26-21)32-23(29-15)17-5-6-18(31-17)24-30-16-4-2-14(12-20(16)33-24)22-27-9-10-28-22;;/h1-6,11-12H,7-10H2,(H,25,26)(H,27,28);2*1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride has a molecular weight of 559.57 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]thiophen-2-yl]-1,3-benzothiazole;dihydrochloride is sourced from PubChem (CID 45378918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).