2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C16H11N3O2S — CID 17285086

IUPAC2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCOc1ccccc1-c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C16H11N3O2S/c1-21-13-9-5-3-7-11(13)14-18-19-15(20)10-6-2-4-8-12(10)17-16(19)22-14/h2-9H,1H3
InChIKeyILPVKXUSEPJSKF-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.98
Rot. Bonds2

About 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 17285086) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID17285086
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCOc1ccccc1-c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C16H11N3O2S/c1-21-13-9-5-3-7-11(13)14-18-19-15(20)10-6-2-4-8-12(10)17-16(19)22-14/h2-9H,1H3
InChIKeyILPVKXUSEPJSKF-UHFFFAOYSA-N
XLogP2.98
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 17285086) is 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is COc1ccccc1-c1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is ILPVKXUSEPJSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-21-13-9-5-3-7-11(13)14-18-19-15(20)10-6-2-4-8-12(10)17-16(19)22-14/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 309.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 17285086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).