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

C27H24N2O5S — CID 23790111

IUPAC2-(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
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N=c3sc(=Cc4ccc5c(c4)OCO5)c(=O)n32)cc1
InChIInChI=1S/C27H24N2O5S/c1-27(2)12-18-23(19(30)13-27)24(16-5-7-17(32-3)8-6-16)29-25(31)22(35-26(29)28-18)11-15-4-9-20-21(10-15)34-14-33-20/h4-11,24H,12-14H2,1-3H3
InChIKeyCMWIETQDZDIARR-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.34
Rot. Bonds3

About 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

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 (PubChem CID 23790111) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID23790111
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC Name2-(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
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N=c3sc(=Cc4ccc5c(c4)OCO5)c(=O)n32)cc1
InChIInChI=1S/C27H24N2O5S/c1-27(2)12-18-23(19(30)13-27)24(16-5-7-17(32-3)8-6-16)29-25(31)22(35-26(29)28-18)11-15-4-9-20-21(10-15)34-14-33-20/h4-11,24H,12-14H2,1-3H3
InChIKeyCMWIETQDZDIARR-UHFFFAOYSA-N
XLogP3.34
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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 2-(1,3-benzodioxol-5-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2858969
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
ethyl (2E)-5-(4-acetyloxyphenyl)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 11947575
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(4-methoxyphenyl)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5290801
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
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
5-(4-methoxyphenyl)-2-[(3-nitrophenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23962117
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
ethyl (5R)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1037242
ethyl 2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2871692
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C2C3=C(CC(C)(C)CC3=O)N=c3sc(=Cc4ccc5c(c4)OCO5)c(=O)n32)cc1.
What is the InChIKey of 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?
The InChIKey is CMWIETQDZDIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5S/c1-27(2)12-18-23(19(30)13-27)24(16-5-7-17(32-3)8-6-16)29-25(31)22(35-26(29)28-18)11-15-4-9-20-21(10-15)34-14-33-20/h4-11,24H,12-14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 488.57 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 23790111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).