10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one

C16H12FN3O3S — CID 14639015

IUPAC10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one
SMILESO=C1c2ccccc2N(Cc2ccc(F)cc2)C2=NS(=O)(=O)CN12
InChIInChI=1S/C16H12FN3O3S/c17-12-7-5-11(6-8-12)9-19-14-4-2-1-3-13(14)15(21)20-10-24(22,23)18-16(19)20/h1-8H,9-10H2
InChIKeyAXNTYCDBUONSAI-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.95
Rot. Bonds2

About 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one

10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one (PubChem CID 14639015) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one.

Molecular Properties

Compound Name10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one
PubChem CID14639015
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC Name10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one
SMILESO=C1c2ccccc2N(Cc2ccc(F)cc2)C2=NS(=O)(=O)CN12
InChIInChI=1S/C16H12FN3O3S/c17-12-7-5-11(6-8-12)9-19-14-4-2-1-3-13(14)15(21)20-10-24(22,23)18-16(19)20/h1-8H,9-10H2
InChIKeyAXNTYCDBUONSAI-UHFFFAOYSA-N
XLogP1.95
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one?
The IUPAC name of 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one (CID 14639015) is 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one.
What is the SMILES notation for 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one?
The canonical SMILES for 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one is O=C1c2ccccc2N(Cc2ccc(F)cc2)C2=NS(=O)(=O)CN12.
What is the InChIKey of 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one?
The InChIKey is AXNTYCDBUONSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-12-7-5-11(6-8-12)9-19-14-4-2-1-3-13(14)15(21)20-10-24(22,23)18-16(19)20/h1-8H,9-10H2.
What are the key properties of 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one?
10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one has a molecular weight of 345.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-fluorophenyl)methyl]-2,2-dioxo-3H-[1,2,4]thiadiazolo[3,4-b]quinazolin-5-one is sourced from PubChem (CID 14639015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).