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

C17H12FN3O2S — CID 51570305

IUPAC2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESC[C@@H](Oc1ccc(F)cc1)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H12FN3O2S/c1-10(23-12-8-6-11(18)7-9-12)15-20-21-16(22)13-4-2-3-5-14(13)19-17(21)24-15/h2-10H,1H3/t10-/m1/s1
InChIKeyTVPHZHCGWKEBPA-SNVBAGLBSA-N
MW341.37 g/mol
LogP3.58
Rot. Bonds3

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

2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 51570305) has the molecular formula C17H12FN3O2S and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID51570305
Molecular FormulaC17H12FN3O2S
Molecular Weight341.37 g/mol
Exact Mass341.06
IUPAC Name2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESC[C@@H](Oc1ccc(F)cc1)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H12FN3O2S/c1-10(23-12-8-6-11(18)7-9-12)15-20-21-16(22)13-4-2-3-5-14(13)19-17(21)24-15/h2-10H,1H3/t10-/m1/s1
InChIKeyTVPHZHCGWKEBPA-SNVBAGLBSA-N
XLogP3.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(1R)-1-(2,4-difluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570417
2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570410
3-[(4-fluorophenyl)methyl]-6-[(1S)-1-phenoxyethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985750
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 12509206
2-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17349773
6-[(1R)-1-(4-fluorophenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 985799
2-[(3,4-dimethylphenoxy)methyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 14709603
2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 838773
2-methoxy-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 19826341
3-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 7957867

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 51570305) is 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is C[C@@H](Oc1ccc(F)cc1)c1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is TVPHZHCGWKEBPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H12FN3O2S/c1-10(23-12-8-6-11(18)7-9-12)15-20-21-16(22)13-4-2-3-5-14(13)19-17(21)24-15/h2-10H,1H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 341.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 51570305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).