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

C25H21Cl2N7S2 — CID 71484564

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3cncc(-c4nc5ccc(C6=NCCN6)cc5s4)c3)sc2cc1C1=NCCN1
InChIInChI=1S/C25H19N7S2.2ClH/c1-3-18-20(10-14(1)22-27-5-6-28-22)33-24(31-18)16-9-17(13-26-12-16)25-32-19-4-2-15(11-21(19)34-25)23-29-7-8-30-23;;/h1-4,9-13H,5-8H2,(H,27,28)(H,29,30);2*1H
InChIKeyHPSGHISIASMZPL-UHFFFAOYSA-N
MW554.53 g/mol
LogP5.18
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]-3-pyridinyl]-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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride (PubChem CID 71484564) has the molecular formula C25H21Cl2N7S2 and a molecular weight of 554.53 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]-3-pyridinyl]-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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride
PubChem CID71484564
Molecular FormulaC25H21Cl2N7S2
Molecular Weight554.53 g/mol
Exact Mass553.07
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride
SMILESCl.Cl.c1cc2nc(-c3cncc(-c4nc5ccc(C6=NCCN6)cc5s4)c3)sc2cc1C1=NCCN1
InChIInChI=1S/C25H19N7S2.2ClH/c1-3-18-20(10-14(1)22-27-5-6-28-22)33-24(31-18)16-9-17(13-26-12-16)25-32-19-4-2-15(11-21(19)34-25)23-29-7-8-30-23;;/h1-4,9-13H,5-8H2,(H,27,28)(H,29,30);2*1H
InChIKeyHPSGHISIASMZPL-UHFFFAOYSA-N
XLogP5.18
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.53
LogP ≤ 55.18
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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride with MolForge

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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]-3-pyridinyl]-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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride (CID 71484564) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-[6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]-3-pyridinyl]-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]-3-pyridinyl]-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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride is Cl.Cl.c1cc2nc(-c3cncc(-c4nc5ccc(C6=NCCN6)cc5s4)c3)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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride?
The InChIKey is HPSGHISIASMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7S2.2ClH/c1-3-18-20(10-14(1)22-27-5-6-28-22)33-24(31-18)16-9-17(13-26-12-16)25-32-19-4-2-15(11-21(19)34-25)23-29-7-8-30-23;;/h1-4,9-13H,5-8H2,(H,27,28)(H,29,30);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]-3-pyridinyl]-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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride has a molecular weight of 554.53 g/mol, XLogP of 5.18, 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]-3-pyridinyl]-1,3-benzothiazole;dihydrochloride is sourced from PubChem (CID 71484564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).