1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride

C9H11Cl2N3S — CID 142626465

IUPAC1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2c(c1)SC1=NCCN12
InChIInChI=1S/C9H9N3S.2ClH/c10-6-1-2-7-8(5-6)13-9-11-3-4-12(7)9;;/h1-2,5H,3-4,10H2;2*1H
InChIKeyNQEYRFAFEDXDEI-UHFFFAOYSA-N
MW264.18 g/mol
LogP2.39
Rot. Bonds

About 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride

1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride (PubChem CID 142626465) has the molecular formula C9H11Cl2N3S and a molecular weight of 264.18 g/mol. Its IUPAC name is 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride.

Molecular Properties

Compound Name1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride
PubChem CID142626465
Molecular FormulaC9H11Cl2N3S
Molecular Weight264.18 g/mol
Exact Mass263.01
IUPAC Name1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2c(c1)SC1=NCCN12
InChIInChI=1S/C9H9N3S.2ClH/c10-6-1-2-7-8(5-6)13-9-11-3-4-12(7)9;;/h1-2,5H,3-4,10H2;2*1H
InChIKeyNQEYRFAFEDXDEI-UHFFFAOYSA-N
XLogP2.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride?
The IUPAC name of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride (CID 142626465) is 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride.
What is the SMILES notation for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride?
The canonical SMILES for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride is Cl.Cl.Nc1ccc2c(c1)SC1=NCCN12.
What is the InChIKey of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride?
The InChIKey is NQEYRFAFEDXDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S.2ClH/c10-6-1-2-7-8(5-6)13-9-11-3-4-12(7)9;;/h1-2,5H,3-4,10H2;2*1H.
What are the key properties of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride?
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride has a molecular weight of 264.18 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-amine;dihydrochloride is sourced from PubChem (CID 142626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).