2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C15H8Cl2N4OS — CID 4660706

IUPAC2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2sc(Nc3ccc(Cl)cc3Cl)nn12
InChIInChI=1S/C15H8Cl2N4OS/c16-8-5-6-12(10(17)7-8)18-14-20-21-13(22)9-3-1-2-4-11(9)19-15(21)23-14/h1-7H,(H,18,20)
InChIKeyYREQXHFPXIVAIH-UHFFFAOYSA-N
MW363.23 g/mol
LogP4.35
Rot. Bonds2

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

2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 4660706) has the molecular formula C15H8Cl2N4OS and a molecular weight of 363.23 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID4660706
Molecular FormulaC15H8Cl2N4OS
Molecular Weight363.23 g/mol
Exact Mass361.98
IUPAC Name2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2sc(Nc3ccc(Cl)cc3Cl)nn12
InChIInChI=1S/C15H8Cl2N4OS/c16-8-5-6-12(10(17)7-8)18-14-20-21-13(22)9-3-1-2-4-11(9)19-15(21)23-14/h1-7H,(H,18,20)
InChIKeyYREQXHFPXIVAIH-UHFFFAOYSA-N
XLogP4.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methoxyanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 22588357
8-chloro-2-(3,5-dimethylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209788
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-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2-(2-ethylanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 30844888
2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209799
N-(2-methylpropyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
CID 50762138
methyl 2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxylate
CID 22589750
2-(5-chloro-2-methylanilino)-N-(3-methoxyphenyl)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 46278386
2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 12509206
3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 50762078

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 4660706) is 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2sc(Nc3ccc(Cl)cc3Cl)nn12.
What is the InChIKey of 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is YREQXHFPXIVAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N4OS/c16-8-5-6-12(10(17)7-8)18-14-20-21-13(22)9-3-1-2-4-11(9)19-15(21)23-14/h1-7H,(H,18,20).
What are the key properties of 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 363.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 4660706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).