3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

C17H14N2OS2 — CID 2767705

IUPAC3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CSc1ccccc1)CS2
InChIInChI=1S/C17H14N2OS2/c20-16-14-8-4-5-9-15(14)18-17-19(16)12(11-22-17)10-21-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyNTXNITLXLFTHNT-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.84
Rot. Bonds3

About 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 2767705) has the molecular formula C17H14N2OS2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID2767705
Molecular FormulaC17H14N2OS2
Molecular Weight326.45 g/mol
Exact Mass326.05
IUPAC Name3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CSc1ccccc1)CS2
InChIInChI=1S/C17H14N2OS2/c20-16-14-8-4-5-9-15(14)18-17-19(16)12(11-22-17)10-21-13-6-2-1-3-7-13/h1-9,12H,10-11H2
InChIKeyNTXNITLXLFTHNT-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 2767705) is 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2n1C(CSc1ccccc1)CS2.
What is the InChIKey of 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is NTXNITLXLFTHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS2/c20-16-14-8-4-5-9-15(14)18-17-19(16)12(11-22-17)10-21-13-6-2-1-3-7-13/h1-9,12H,10-11H2.
What are the key properties of 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 326.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 2767705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).