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

C25H21ClN2O4S — CID 23992636

IUPAC5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
SMILESCOc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N=3)cc1OC
InChIInChI=1S/C25H21ClN2O4S/c1-31-19-11-6-14(12-20(19)32-2)13-21-24(30)28-23(15-7-9-16(26)10-8-15)22-17(27-25(28)33-21)4-3-5-18(22)29/h6-13,23H,3-5H2,1-2H3
InChIKeyLGLQZEWTCPWITF-UHFFFAOYSA-N
MW480.97 g/mol
LogP3.64
Rot. Bonds4

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

5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione (PubChem CID 23992636) has the molecular formula C25H21ClN2O4S and a molecular weight of 480.97 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
PubChem CID23992636
Molecular FormulaC25H21ClN2O4S
Molecular Weight480.97 g/mol
Exact Mass480.09
IUPAC Name5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
SMILESCOc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N=3)cc1OC
InChIInChI=1S/C25H21ClN2O4S/c1-31-19-11-6-14(12-20(19)32-2)13-21-24(30)28-23(15-7-9-16(26)10-8-15)22-17(27-25(28)33-21)4-3-5-18(22)29/h6-13,23H,3-5H2,1-2H3
InChIKeyLGLQZEWTCPWITF-UHFFFAOYSA-N
XLogP3.64
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.97
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-chlorophenyl)-2-[(3-chlorophenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23931498
(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-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23884985
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
5-(4-methoxyphenyl)-2-[(3-nitrophenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23962117
(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-phenyl-2-(quinolin-6-ylmethylidene)-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23804675
ethyl (2Z)-5-(4-chlorophenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 6510768
propan-2-yl 2-[(4-acetyloxy-3-methoxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4568475
(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-(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
[4-[[(5S)-5-(4-chlorophenyl)-7-methyl-3-oxo-6-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2-methoxyphenyl] acetate
CID 129444084

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The IUPAC name of 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) is 5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)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-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione is COc1ccc(C=c2sc3n(c2=O)C(c2ccc(Cl)cc2)C2=C(CCCC2=O)N=3)cc1OC.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
The InChIKey is LGLQZEWTCPWITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4S/c1-31-19-11-6-14(12-20(19)32-2)13-21-24(30)28-23(15-7-9-16(26)10-8-15)22-17(27-25(28)33-21)4-3-5-18(22)29/h6-13,23H,3-5H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione?
5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione has a molecular weight of 480.97 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione is sourced from PubChem (CID 23992636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).