2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione

C29H24N2O2S — CID 23996888

IUPAC2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
SMILESCC1(C)CC(=O)C2=C(C1)N=c1sc(=Cc3ccccc3)c(=O)n1C2c1cccc2ccccc12
InChIInChI=1S/C29H24N2O2S/c1-29(2)16-22-25(23(32)17-29)26(21-14-8-12-19-11-6-7-13-20(19)21)31-27(33)24(34-28(31)30-22)15-18-9-4-3-5-10-18/h3-15,26H,16-17H2,1-2H3
InChIKeyONJBEWQNBSVHNE-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.76
Rot. Bonds2

About 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione

2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione (PubChem CID 23996888) has the molecular formula C29H24N2O2S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
PubChem CID23996888
Molecular FormulaC29H24N2O2S
Molecular Weight464.59 g/mol
Exact Mass464.16
IUPAC Name2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
SMILESCC1(C)CC(=O)C2=C(C1)N=c1sc(=Cc3ccccc3)c(=O)n1C2c1cccc2ccccc12
InChIInChI=1S/C29H24N2O2S/c1-29(2)16-22-25(23(32)17-29)26(21-14-8-12-19-11-6-7-13-20(19)21)31-27(33)24(34-28(31)30-22)15-18-9-4-3-5-10-18/h3-15,26H,16-17H2,1-2H3
InChIKeyONJBEWQNBSVHNE-UHFFFAOYSA-N
XLogP4.76
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methylidene]-8,8-dimethyl-5-phenyl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23965250
2-[(2-chlorophenyl)methylidene]-8,8-dimethyl-5-(2-nitrophenyl)-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23847607
5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylidene]-8,8-dimethyl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23761873
5-(3-bromophenyl)-8,8-dimethyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23848037
8,8-dimethyl-5-(3-nitrophenyl)-2-[(3,4,5-trimethoxyphenyl)methylidene]-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23735261
2-(1,3-benzodioxol-5-ylmethylidene)-5-(4-methoxyphenyl)-8,8-dimethyl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23790111
2-[(3,4-dimethoxyphenyl)methylidene]-8,8-dimethyl-5-(4-nitrophenyl)-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23932254
ethyl (2Z,5S)-2-[(3-chlorophenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 92962299
ethyl (2E,5S)-2-[(4-cyanophenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126037645
(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one
CID 12865776
(2E,5S)-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 6341900
(2E)-2-[(4-chlorophenyl)methylidene]-5-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 6384196

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The IUPAC name of 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione (CID 23996888) is 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione.
What is the SMILES notation for 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The canonical SMILES for 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione is CC1(C)CC(=O)C2=C(C1)N=c1sc(=Cc3ccccc3)c(=O)n1C2c1cccc2ccccc12.
What is the InChIKey of 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The InChIKey is ONJBEWQNBSVHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2S/c1-29(2)16-22-25(23(32)17-29)26(21-14-8-12-19-11-6-7-13-20(19)21)31-27(33)24(34-28(31)30-22)15-18-9-4-3-5-10-18/h3-15,26H,16-17H2,1-2H3.
What are the key properties of 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione has a molecular weight of 464.59 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-8,8-dimethyl-5-naphthalen-1-yl-7,9-dihydro-5H-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione is sourced from PubChem (CID 23996888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).