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

C11H9N3OS2 — CID 838773

IUPAC2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCCSc1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C11H9N3OS2/c1-2-16-11-13-14-9(15)7-5-3-4-6-8(7)12-10(14)17-11/h3-6H,2H2,1H3
InChIKeyANBICWUKCFLASK-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.42
Rot. Bonds2

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

2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 838773) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID838773
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESCCSc1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C11H9N3OS2/c1-2-16-11-13-14-9(15)7-5-3-4-6-8(7)12-10(14)17-11/h3-6H,2H2,1H3
InChIKeyANBICWUKCFLASK-UHFFFAOYSA-N
XLogP2.42
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 12509206
6-ethyl-2-ethylsulfanyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135735554
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
3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 2661385
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-[(3,4-dimethylphenoxy)methyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 14709603
2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 22588357
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
2-methoxy-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 19826341
2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570305

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 838773) is 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is CCSc1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is ANBICWUKCFLASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c1-2-16-11-13-14-9(15)7-5-3-4-6-8(7)12-10(14)17-11/h3-6H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 263.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 838773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).