2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C11H9N3OS — CID 12509206

IUPAC2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCCc1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C11H9N3OS/c1-2-9-13-14-10(15)7-5-3-4-6-8(7)12-11(14)16-9/h3-6H,2H2,1H3
InChIKeyCENAVPOWPABVIA-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.87
Rot. Bonds1

About 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 12509206) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID12509206
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCCc1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C11H9N3OS/c1-2-9-13-14-10(15)7-5-3-4-6-8(7)12-11(14)16-9/h3-6H,2H2,1H3
InChIKeyCENAVPOWPABVIA-UHFFFAOYSA-N
XLogP1.87
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 838773
2-[(3,4-dimethylphenoxy)methyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 14709603
2-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17349773
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
2-(2,6-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6624956
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
2-methoxy-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 19826341
2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570410
2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570305
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 4660706
2-(2-ethylanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 30844888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 12509206) is 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is CCc1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is CENAVPOWPABVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-2-9-13-14-10(15)7-5-3-4-6-8(7)12-11(14)16-9/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 231.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 12509206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).