N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide

C24H19N3O2S2 — CID 4270232

IUPACN-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC1CSc2nc3ccccc3c(=O)n21)c1ccccc1
InChIInChI=1S/C24H19N3O2S2/c28-22(16-8-2-1-3-9-16)25-20-12-6-7-13-21(20)30-14-17-15-31-24-26-19-11-5-4-10-18(19)23(29)27(17)24/h1-13,17H,14-15H2,(H,25,28)
InChIKeyZTPUEBJUZXYSKB-UHFFFAOYSA-N
MW445.57 g/mol
LogP5.09
Rot. Bonds5

About N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide

N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide (PubChem CID 4270232) has the molecular formula C24H19N3O2S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide
PubChem CID4270232
Molecular FormulaC24H19N3O2S2
Molecular Weight445.57 g/mol
Exact Mass445.09
IUPAC NameN-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1SCC1CSc2nc3ccccc3c(=O)n21)c1ccccc1
InChIInChI=1S/C24H19N3O2S2/c28-22(16-8-2-1-3-9-16)25-20-12-6-7-13-21(20)30-14-17-15-31-24-26-19-11-5-4-10-18(19)23(29)27(17)24/h1-13,17H,14-15H2,(H,25,28)
InChIKeyZTPUEBJUZXYSKB-UHFFFAOYSA-N
XLogP5.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide?
The IUPAC name of N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide (CID 4270232) is N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide?
The canonical SMILES for N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide is O=C(Nc1ccccc1SCC1CSc2nc3ccccc3c(=O)n21)c1ccccc1.
What is the InChIKey of N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide?
The InChIKey is ZTPUEBJUZXYSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S2/c28-22(16-8-2-1-3-9-16)25-20-12-6-7-13-21(20)30-14-17-15-31-24-26-19-11-5-4-10-18(19)23(29)27(17)24/h1-13,17H,14-15H2,(H,25,28).
What are the key properties of N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide?
N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide has a molecular weight of 445.57 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)methylsulfanyl]phenyl]benzamide is sourced from PubChem (CID 4270232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).