(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C26H17N3O2S — CID 19260562

IUPAC(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C\C2=Cc3ccccc3OC2c2ccccc2)sc2nc(-c3ccccc3)nn12
InChIInChI=1S/C26H17N3O2S/c30-25-22(32-26-27-24(28-29(25)26)18-11-5-2-6-12-18)16-20-15-19-13-7-8-14-21(19)31-23(20)17-9-3-1-4-10-17/h1-16,23H/b22-16+
InChIKeyZAGIMXCTXGASIW-CJLVFECKSA-N
MW435.51 g/mol
LogP4.53
Rot. Bonds3

About (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 19260562) has the molecular formula C26H17N3O2S and a molecular weight of 435.51 g/mol. Its IUPAC name is (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID19260562
Molecular FormulaC26H17N3O2S
Molecular Weight435.51 g/mol
Exact Mass435.10
IUPAC Name(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C\C2=Cc3ccccc3OC2c2ccccc2)sc2nc(-c3ccccc3)nn12
InChIInChI=1S/C26H17N3O2S/c30-25-22(32-26-27-24(28-29(25)26)18-11-5-2-6-12-18)16-20-15-19-13-7-8-14-21(19)31-23(20)17-9-3-1-4-10-17/h1-16,23H/b22-16+
InChIKeyZAGIMXCTXGASIW-CJLVFECKSA-N
XLogP4.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5E)-6-oxo-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
CID 19260567
(5Z)-2-(4-bromophenyl)-5-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 35793422
2-(4-ethoxyphenyl)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4175429
(2Z)-2-[[(2R)-2-methyl-2H-chromen-3-yl]methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1236893
(5Z)-2-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 7454576
(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6518718
(5Z)-2-phenyl-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6126652
4-[5-[(Z)-(6-oxo-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 6196521
5-[(2-fluorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3547902
(5E)-5-benzylidene-2-[3-[(5E)-5-benzylidene-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10007247
5-(2H-chromen-3-ylmethylidene)-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3555899
(5Z)-5-benzylidene-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699996

Frequently Asked Questions

What is the IUPAC name of (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 19260562) is (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C\C2=Cc3ccccc3OC2c2ccccc2)sc2nc(-c3ccccc3)nn12.
What is the InChIKey of (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is ZAGIMXCTXGASIW-CJLVFECKSA-N. The full InChI is InChI=1S/C26H17N3O2S/c30-25-22(32-26-27-24(28-29(25)26)18-11-5-2-6-12-18)16-20-15-19-13-7-8-14-21(19)31-23(20)17-9-3-1-4-10-17/h1-16,23H/b22-16+.
What are the key properties of (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 435.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 19260562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).