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

C17H12ClN3O2S — CID 51570410

IUPAC2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESC[C@H](Oc1ccccc1Cl)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H12ClN3O2S/c1-10(23-14-9-5-3-7-12(14)18)15-20-21-16(22)11-6-2-4-8-13(11)19-17(21)24-15/h2-10H,1H3/t10-/m0/s1
InChIKeyONMDTBDQVCGYBM-JTQLQIEISA-N
MW357.82 g/mol
LogP4.10
Rot. Bonds3

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

2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 51570410) has the molecular formula C17H12ClN3O2S and a molecular weight of 357.82 g/mol. Its IUPAC name is 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID51570410
Molecular FormulaC17H12ClN3O2S
Molecular Weight357.82 g/mol
Exact Mass357.03
IUPAC Name2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESC[C@H](Oc1ccccc1Cl)c1nn2c(=O)c3ccccc3nc2s1
InChIInChI=1S/C17H12ClN3O2S/c1-10(23-14-9-5-3-7-12(14)18)15-20-21-16(22)11-6-2-4-8-13(11)19-17(21)24-15/h2-10H,1H3/t10-/m0/s1
InChIKeyONMDTBDQVCGYBM-JTQLQIEISA-N
XLogP4.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1S)-1-(2-chlorophenoxy)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-[(1R)-1-(4-fluorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570305
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
2-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17349773
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-amino-2-[1-(2-methoxyphenoxy)ethyl]-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 16804813
2-(4-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6626180
2-(2-chlorophenoxy)-N'-(3-ethyl-4-oxoquinazolin-2-yl)propanehydrazide
CID 55576050
2-ethylsulfanyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 838773
2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 4660706
2-(2,6-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 6624956

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 51570410) is 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is C[C@H](Oc1ccccc1Cl)c1nn2c(=O)c3ccccc3nc2s1.
What is the InChIKey of 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is ONMDTBDQVCGYBM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H12ClN3O2S/c1-10(23-14-9-5-3-7-12(14)18)15-20-21-16(22)11-6-2-4-8-13(11)19-17(21)24-15/h2-10H,1H3/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 357.82 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 51570410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).