3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one

C19H11N3O2S — CID 934475

IUPAC3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccco2)n1-c1nc2ccccc2s1
InChIInChI=1S/C19H11N3O2S/c23-18-12-6-1-2-7-13(12)20-17(15-9-5-11-24-15)22(18)19-21-14-8-3-4-10-16(14)25-19/h1-11H
InChIKeyWMPVJERGEVCOGK-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.26
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one

3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one (PubChem CID 934475) has the molecular formula C19H11N3O2S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one
PubChem CID934475
Molecular FormulaC19H11N3O2S
Molecular Weight345.38 g/mol
Exact Mass345.06
IUPAC Name3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccco2)n1-c1nc2ccccc2s1
InChIInChI=1S/C19H11N3O2S/c23-18-12-6-1-2-7-13(12)20-17(15-9-5-11-24-15)22(18)19-21-14-8-3-4-10-16(14)25-19/h1-11H
InChIKeyWMPVJERGEVCOGK-UHFFFAOYSA-N
XLogP4.26
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one (CID 934475) is 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccco2)n1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one?
The InChIKey is WMPVJERGEVCOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2S/c23-18-12-6-1-2-7-13(12)20-17(15-9-5-11-24-15)22(18)19-21-14-8-3-4-10-16(14)25-19/h1-11H.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one?
3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one has a molecular weight of 345.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinazolin-4-one is sourced from PubChem (CID 934475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).