2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C17H11F2N3O2S — CID 51570417

IUPAC2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESC[C@@H](Oc1ccc(F)cc1F)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H11F2N3O2S/c1-9(24-14-7-6-10(18)8-12(14)19)15-21-22-16(23)11-4-2-3-5-13(11)20-17(22)25-15/h2-9H,1H3/t9-/m1/s1
InChIKeyMERDECUEDUTQDX-SECBINFHSA-N
MW359.36 g/mol
LogP3.72
Rot. Bonds3

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

2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 51570417) has the molecular formula C17H11F2N3O2S and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID51570417
Molecular FormulaC17H11F2N3O2S
Molecular Weight359.36 g/mol
Exact Mass359.05
IUPAC Name2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESC[C@@H](Oc1ccc(F)cc1F)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H11F2N3O2S/c1-9(24-14-7-6-10(18)8-12(14)19)15-21-22-16(23)11-4-2-3-5-13(11)20-17(22)25-15/h2-9H,1H3/t9-/m1/s1
InChIKeyMERDECUEDUTQDX-SECBINFHSA-N
XLogP3.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one with MolForge

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Related Compounds

2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570305
2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570410
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 43988615
2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 22588357
2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 12509206
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
2-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17349773
3-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 16804813
3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
CID 2365337
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 51570417) is 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is C[C@@H](Oc1ccc(F)cc1F)c1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is MERDECUEDUTQDX-SECBINFHSA-N. The full InChI is InChI=1S/C17H11F2N3O2S/c1-9(24-14-7-6-10(18)8-12(14)19)15-21-22-16(23)11-4-2-3-5-13(11)20-17(22)25-15/h2-9H,1H3/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 359.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 51570417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).