5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione

C25H21ClN2O2S — CID 23884985

IUPAC5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
SMILESCCc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N=3)cc1
InChIInChI=1S/C25H21ClN2O2S/c1-2-15-6-8-16(9-7-15)14-21-24(30)28-23(17-10-12-18(26)13-11-17)22-19(27-25(28)31-21)4-3-5-20(22)29/h6-14,23H,2-5H2,1H3
InChIKeyKWFIOIGPBKQTCU-UHFFFAOYSA-N
MW448.98 g/mol
LogP4.18
Rot. Bonds3

About 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione

5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione (PubChem CID 23884985) has the molecular formula C25H21ClN2O2S and a molecular weight of 448.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
PubChem CID23884985
Molecular FormulaC25H21ClN2O2S
Molecular Weight448.98 g/mol
Exact Mass448.10
IUPAC Name5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
SMILESCCc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N=3)cc1
InChIInChI=1S/C25H21ClN2O2S/c1-2-15-6-8-16(9-7-15)14-21-24(30)28-23(17-10-12-18(26)13-11-17)22-19(27-25(28)31-21)4-3-5-20(22)29/h6-14,23H,2-5H2,1H3
InChIKeyKWFIOIGPBKQTCU-UHFFFAOYSA-N
XLogP4.18
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-5-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 6384196
5-(4-chlorophenyl)-2-[(3-chlorophenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23931498
5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23992636
(2Z,5S,6R)-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-methyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 93476726
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
(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
5-phenyl-2-(quinolin-6-ylmethylidene)-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23804675
ethyl 2-[(4-acetyloxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3790812
(2E,9Z)-2-benzylidene-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408833
ethyl 2-[(4-chlorophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2871095
ethyl (2E,5S)-5-(4-chlorophenyl)-2-[(4-ethoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 124581938
propan-2-yl (2Z,5R)-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2131954

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The IUPAC name of 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione (CID 23884985) is 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione is CCc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N=3)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The InChIKey is KWFIOIGPBKQTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2S/c1-2-15-6-8-16(9-7-15)14-21-24(30)28-23(17-10-12-18(26)13-11-17)22-19(27-25(28)31-21)4-3-5-20(22)29/h6-14,23H,2-5H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione has a molecular weight of 448.98 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione is sourced from PubChem (CID 23884985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).