(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

C24H20Cl2N2OS — CID 93476726

IUPAC(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
SMILESC[C@@H]1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2
InChIInChI=1S/C24H20Cl2N2OS/c1-14-3-2-4-19-21(14)22(16-7-11-18(26)12-8-16)28-23(29)20(30-24(28)27-19)13-15-5-9-17(25)10-6-15/h5-14,22H,2-4H2,1H3/b20-13-/t14-,22+/m1/s1
InChIKeyGABSYHKVFPHDHM-YQNAQZMXSA-N
MW455.41 g/mol
LogP5.34
Rot. Bonds2

About (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

(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 (PubChem CID 93476726) has the molecular formula C24H20Cl2N2OS and a molecular weight of 455.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID93476726
Molecular FormulaC24H20Cl2N2OS
Molecular Weight455.41 g/mol
Exact Mass454.07
IUPAC Name(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
SMILESC[C@@H]1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2
InChIInChI=1S/C24H20Cl2N2OS/c1-14-3-2-4-19-21(14)22(16-7-11-18(26)12-8-16)28-23(29)20(30-24(28)27-19)13-15-5-9-17(25)10-6-15/h5-14,22H,2-4H2,1H3/b20-13-/t14-,22+/m1/s1
InChIKeyGABSYHKVFPHDHM-YQNAQZMXSA-N
XLogP5.34
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

5-(4-chlorophenyl)-2-[(4-ethylphenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23884985
(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
(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
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
(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,9E)-2-[(4-chlorophenyl)methylidene]-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 51370495
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
methyl (2Z,5S)-2-[(4-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2248965
methyl 5-(4-chlorophenyl)-2-[(4-fluorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4538887
(2E,9Z)-2-[(4-chlorophenyl)methylidene]-5-[4-(difluoromethoxy)phenyl]-9-[[4-(difluoromethoxy)phenyl]methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408865

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2.
What is the InChIKey of (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?
The InChIKey is GABSYHKVFPHDHM-YQNAQZMXSA-N. The full InChI is InChI=1S/C24H20Cl2N2OS/c1-14-3-2-4-19-21(14)22(16-7-11-18(26)12-8-16)28-23(29)20(30-24(28)27-19)13-15-5-9-17(25)10-6-15/h5-14,22H,2-4H2,1H3/b20-13-/t14-,22+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 455.41 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 93476726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).