2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide

C18H11N3O4S2 — CID 71570660

IUPAC2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12
InChIInChI=1S/C18H11N3O4S2/c19-27(23,24)11-5-6-14-16(8-11)26-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)25-17(12)22/h1-9H,(H2,19,23,24)
InChIKeyBIBMGOMAPOAXCH-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.97
Rot. Bonds2

About 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide

2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide (PubChem CID 71570660) has the molecular formula C18H11N3O4S2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide
PubChem CID71570660
Molecular FormulaC18H11N3O4S2
Molecular Weight397.44 g/mol
Exact Mass397.02
IUPAC Name2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12
InChIInChI=1S/C18H11N3O4S2/c19-27(23,24)11-5-6-14-16(8-11)26-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)25-17(12)22/h1-9H,(H2,19,23,24)
InChIKeyBIBMGOMAPOAXCH-UHFFFAOYSA-N
XLogP2.97
TPSA107.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide?
The IUPAC name of 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide (CID 71570660) is 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide?
The canonical SMILES for 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12.
What is the InChIKey of 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide?
The InChIKey is BIBMGOMAPOAXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4S2/c19-27(23,24)11-5-6-14-16(8-11)26-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)25-17(12)22/h1-9H,(H2,19,23,24).
What are the key properties of 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide?
2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide has a molecular weight of 397.44 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-3-yl)imidazo[2,1-b][1,3]benzothiazole-6-sulfonamide is sourced from PubChem (CID 71570660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).