1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

C10H8N2O3S — CID 2826036

IUPAC1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1CCS2(=O)=O
InChIInChI=1S/C10H8N2O3S/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-16(10,14)15/h1-4H,5-6H2
InChIKeyWBGXMZXUXNTNDK-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.18
Rot. Bonds

About 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 2826036) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID2826036
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1CCS2(=O)=O
InChIInChI=1S/C10H8N2O3S/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-16(10,14)15/h1-4H,5-6H2
InChIKeyWBGXMZXUXNTNDK-UHFFFAOYSA-N
XLogP0.18
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 2826036) is 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2n1CCS2(=O)=O.
What is the InChIKey of 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is WBGXMZXUXNTNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-9-7-3-1-2-4-8(7)11-10-12(9)5-6-16(10,14)15/h1-4H,5-6H2.
What are the key properties of 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 236.25 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 2826036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).