4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde

C16H10N2OS — CID 53322664

IUPAC4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H10N2OS/c19-10-11-5-7-12(8-6-11)13-9-18-14-3-1-2-4-15(14)20-16(18)17-13/h1-10H
InChIKeyGATFSXPCQKLAQO-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.03
Rot. Bonds2

About 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde

4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde (PubChem CID 53322664) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde
PubChem CID53322664
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H10N2OS/c19-10-11-5-7-12(8-6-11)13-9-18-14-3-1-2-4-15(14)20-16(18)17-13/h1-10H
InChIKeyGATFSXPCQKLAQO-UHFFFAOYSA-N
XLogP4.03
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde?
The IUPAC name of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde (CID 53322664) is 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde?
The canonical SMILES for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde is O=Cc1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde?
The InChIKey is GATFSXPCQKLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-10-11-5-7-12(8-6-11)13-9-18-14-3-1-2-4-15(14)20-16(18)17-13/h1-10H.
What are the key properties of 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde?
4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde has a molecular weight of 278.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-b][1,3]benzothiazol-2-ylbenzaldehyde is sourced from PubChem (CID 53322664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).