2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol

C15H11N3OS — CID 44598578

IUPAC2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESNc1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C15H11N3OS/c16-10-3-1-9(2-4-10)12-8-18-13-6-5-11(19)7-14(13)20-15(18)17-12/h1-8,19H,16H2
InChIKeyHTPOSANNBYPDRZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.50
Rot. Bonds1

About 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol

2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol (PubChem CID 44598578) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
PubChem CID44598578
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
SMILESNc1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1
InChIInChI=1S/C15H11N3OS/c16-10-3-1-9(2-4-10)12-8-18-13-6-5-11(19)7-14(13)20-15(18)17-12/h1-8,19H,16H2
InChIKeyHTPOSANNBYPDRZ-UHFFFAOYSA-N
XLogP3.50
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
The IUPAC name of 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol (CID 44598578) is 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol.
What is the SMILES notation for 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
The canonical SMILES for 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol is Nc1ccc(-c2cn3c(n2)sc2cc(O)ccc23)cc1.
What is the InChIKey of 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
The InChIKey is HTPOSANNBYPDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c16-10-3-1-9(2-4-10)12-8-18-13-6-5-11(19)7-14(13)20-15(18)17-12/h1-8,19H,16H2.
What are the key properties of 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol?
2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol has a molecular weight of 281.34 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol is sourced from PubChem (CID 44598578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).