1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one

C15H10N2O4S2 — CID 155559682

IUPAC1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2cccs2)no1
InChIInChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2
InChIKeyREDWINSSNWWBGL-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.75
Rot. Bonds3

About 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one

1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one (PubChem CID 155559682) has the molecular formula C15H10N2O4S2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
PubChem CID155559682
Molecular FormulaC15H10N2O4S2
Molecular Weight346.39 g/mol
Exact Mass346.01
IUPAC Name1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2cccs2)no1
InChIInChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2
InChIKeyREDWINSSNWWBGL-UHFFFAOYSA-N
XLogP2.75
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
The IUPAC name of 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one (CID 155559682) is 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one.
What is the SMILES notation for 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
The canonical SMILES for 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one is O=C1c2ccccc2S(=O)(=O)N1Cc1cc(-c2cccs2)no1.
What is the InChIKey of 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
The InChIKey is REDWINSSNWWBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4S2/c18-15-11-4-1-2-6-14(11)23(19,20)17(15)9-10-8-12(16-21-10)13-5-3-7-22-13/h1-8H,9H2.
What are the key properties of 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one?
1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one has a molecular weight of 346.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]-1,2-benzothiazol-3-one is sourced from PubChem (CID 155559682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).