5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

C14H10N2OS — CID 3969321

IUPAC5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=C1c2ccccc2NC2Sc3ccccc3N12
InChIInChI=1S/C14H10N2OS/c17-13-9-5-1-2-6-10(9)15-14-16(13)11-7-3-4-8-12(11)18-14/h1-8,14-15H
InChIKeyPYZFYNTUPROYOJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.15
Rot. Bonds

About 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (PubChem CID 3969321) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.

Molecular Properties

Compound Name5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
PubChem CID3969321
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=C1c2ccccc2NC2Sc3ccccc3N12
InChIInChI=1S/C14H10N2OS/c17-13-9-5-1-2-6-10(9)15-14-16(13)11-7-3-4-8-12(11)18-14/h1-8,14-15H
InChIKeyPYZFYNTUPROYOJ-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The IUPAC name of 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (CID 3969321) is 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.
What is the SMILES notation for 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The canonical SMILES for 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is O=C1c2ccccc2NC2Sc3ccccc3N12.
What is the InChIKey of 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The InChIKey is PYZFYNTUPROYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-13-9-5-1-2-6-10(9)15-14-16(13)11-7-3-4-8-12(11)18-14/h1-8,14-15H.
What are the key properties of 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one has a molecular weight of 254.31 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5a-dihydro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is sourced from PubChem (CID 3969321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).