(2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione

C24H14ClN3O2S — CID 10433543

IUPAC(2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione
SMILESO=C1N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2NC12c1ccccc1-c1ccccc12
InChIInChI=1S/C24H14ClN3O2S/c25-15-11-9-14(10-12-15)13-20-21(29)28-23(31-20)26-22(30)24(27-28)18-7-3-1-5-16(18)17-6-2-4-8-19(17)24/h1-13,27H/b20-13+
InChIKeyHMLJFEULQXCDJL-DEDYPNTBSA-N
MW443.92 g/mol
LogP3.02
Rot. Bonds1

About (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione

(2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione (PubChem CID 10433543) has the molecular formula C24H14ClN3O2S and a molecular weight of 443.92 g/mol. Its IUPAC name is (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione.

Molecular Properties

Compound Name(2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione
PubChem CID10433543
Molecular FormulaC24H14ClN3O2S
Molecular Weight443.92 g/mol
Exact Mass443.05
IUPAC Name(2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione
SMILESO=C1N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2NC12c1ccccc1-c1ccccc12
InChIInChI=1S/C24H14ClN3O2S/c25-15-11-9-14(10-12-15)13-20-21(29)28-23(31-20)26-22(30)24(27-28)18-7-3-1-5-16(18)17-6-2-4-8-19(17)24/h1-13,27H/b20-13+
InChIKeyHMLJFEULQXCDJL-DEDYPNTBSA-N
XLogP3.02
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7E)-7-[(4-chlorophenyl)methylidene]spiro[2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclohexane]-6-one
CID 962831
(7Z)-7-benzylidene-3,3-diethyl-2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazin-6-one
CID 15853548
5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23745561
(2Z)-2-[(4-chlorophenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 2410258
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
2-[2-(4-chlorophenyl)ethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269001
(3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one
CID 46933544
methyl (2Z)-5-(2-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5340537
(2E)-2-[(4-chlorophenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 7241004
11-(4-chlorophenyl)-14-[(4-hydroxyphenyl)methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 3501212
(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420523
2-(4-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3140321

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione?
The IUPAC name of (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione (CID 10433543) is (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione.
What is the SMILES notation for (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione?
The canonical SMILES for (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione is O=C1N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2NC12c1ccccc1-c1ccccc12.
What is the InChIKey of (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione?
The InChIKey is HMLJFEULQXCDJL-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H14ClN3O2S/c25-15-11-9-14(10-12-15)13-20-21(29)28-23(31-20)26-22(30)24(27-28)18-7-3-1-5-16(18)17-6-2-4-8-19(17)24/h1-13,27H/b20-13+.
What are the key properties of (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione?
(2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione has a molecular weight of 443.92 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-chlorophenyl)methylidene]spiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3,7-dione is sourced from PubChem (CID 10433543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).