(2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone

C24H17N3O2S — CID 139201280

IUPAC(2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone
SMILESO=C(/C=C1\Sc2nc(-c3ccccc3)nn2[C@@]1(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17N3O2S/c28-20(17-10-4-1-5-11-17)16-21-24(29,19-14-8-3-9-15-19)27-23(30-21)25-22(26-27)18-12-6-2-7-13-18/h1-16,29H/b21-16-/t24-/m1/s1
InChIKeyGUBWWGNMLDFKKV-OFVJEAJMSA-N
MW411.49 g/mol
LogP4.51
Rot. Bonds4

About (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone

(2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone (PubChem CID 139201280) has the molecular formula C24H17N3O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone
PubChem CID139201280
Molecular FormulaC24H17N3O2S
Molecular Weight411.49 g/mol
Exact Mass411.10
IUPAC Name(2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone
SMILESO=C(/C=C1\Sc2nc(-c3ccccc3)nn2[C@@]1(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17N3O2S/c28-20(17-10-4-1-5-11-17)16-21-24(29,19-14-8-3-9-15-19)27-23(30-21)25-22(26-27)18-12-6-2-7-13-18/h1-16,29H/b21-16-/t24-/m1/s1
InChIKeyGUBWWGNMLDFKKV-OFVJEAJMSA-N
XLogP4.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 177476304
5-[(2-fluorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3547902
(4aS,8aS)-8a-hydroxy-7,7-dimethyl-2-(4-methylphenyl)-6,8-dihydro-4aH-[1,2,4]triazolo[5,1-b][1,3]benzothiazol-5-one
CID 681851
2-(3,5-dimethyl-2,6-diphenylpyran-4-ylidene)-1-phenylethanone
CID 14529383
1-[5-[4-(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazol-1-yl]ethanone
CID 118927380
2-(1-methyl-3,4-dihydroquinolin-2-ylidene)-1-phenylethanone
CID 154269725
2-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-ol
CID 583014
phenyl-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 2973632
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
2-(4,5-dimethyldithiol-3-ylidene)-1-phenylethanone
CID 619119
phenyl-(4-phenylphenyl)methanone
CID 155775877

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone?
The IUPAC name of (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone (CID 139201280) is (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone.
What is the SMILES notation for (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone?
The canonical SMILES for (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone is O=C(/C=C1\Sc2nc(-c3ccccc3)nn2[C@@]1(O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone?
The InChIKey is GUBWWGNMLDFKKV-OFVJEAJMSA-N. The full InChI is InChI=1S/C24H17N3O2S/c28-20(17-10-4-1-5-11-17)16-21-24(29,19-14-8-3-9-15-19)27-23(30-21)25-22(26-27)18-12-6-2-7-13-18/h1-16,29H/b21-16-/t24-/m1/s1.
What are the key properties of (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone?
(2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone has a molecular weight of 411.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6R)-6-hydroxy-2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-1-phenylethanone is sourced from PubChem (CID 139201280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).