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

C17H13N3O2S — CID 17349815

IUPAC2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCC(Oc1ccccc1)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H13N3O2S/c1-11(22-12-7-3-2-4-8-12)15-19-20-16(21)13-9-5-6-10-14(13)18-17(20)23-15/h2-11H,1H3
InChIKeyAWPXXMAIVZIGKS-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.44
Rot. Bonds3

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

2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 17349815) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID17349815
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCC(Oc1ccccc1)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H13N3O2S/c1-11(22-12-7-3-2-4-8-12)15-19-20-16(21)13-9-5-6-10-14(13)18-17(20)23-15/h2-11H,1H3
InChIKeyAWPXXMAIVZIGKS-UHFFFAOYSA-N
XLogP3.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 17349815) is 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is CC(Oc1ccccc1)c1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is AWPXXMAIVZIGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-11(22-12-7-3-2-4-8-12)15-19-20-16(21)13-9-5-6-10-14(13)18-17(20)23-15/h2-11H,1H3.
What are the key properties of 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 323.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxyethyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 17349815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).