1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

C9H9N3S — CID 658687

IUPAC1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESNc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C9H9N3S/c10-6-1-2-8-7(5-6)12-4-3-11-9(12)13-8/h1-2,5H,3-4,10H2
InChIKeyHJCGGAYYNMECPO-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.55
Rot. Bonds

About 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine

1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (PubChem CID 658687) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.

Molecular Properties

Compound Name1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
PubChem CID658687
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine
SMILESNc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C9H9N3S/c10-6-1-2-8-7(5-6)12-4-3-11-9(12)13-8/h1-2,5H,3-4,10H2
InChIKeyHJCGGAYYNMECPO-UHFFFAOYSA-N
XLogP1.55
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.55
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-7-amine?
The IUPAC name of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine (CID 658687) is 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine.
What is the SMILES notation for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The canonical SMILES for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine is Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
The InChIKey is HJCGGAYYNMECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-6-1-2-8-7(5-6)12-4-3-11-9(12)13-8/h1-2,5H,3-4,10H2.
What are the key properties of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine?
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-amine has a molecular weight of 191.26 g/mol, XLogP of 1.55, 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-7-amine is sourced from PubChem (CID 658687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).