(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C22H17N3OS — CID 18816537

IUPAC(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(/C=C/c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1
InChIInChI=1S/C22H17N3OS/c1-16-10-12-18(13-11-16)14-15-20-23-22-25(24-20)21(26)19(27-22)9-5-8-17-6-3-2-4-7-17/h2-15H,1H3/b8-5+,15-14+,19-9-
InChIKeyRHYDHGGQJXGYKS-ABDPJLGLSA-N
MW371.47 g/mol
LogP3.84
Rot. Bonds4

About (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 18816537) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID18816537
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(/C=C/c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1
InChIInChI=1S/C22H17N3OS/c1-16-10-12-18(13-11-16)14-15-20-23-22-25(24-20)21(26)19(27-22)9-5-8-17-6-3-2-4-7-17/h2-15H,1H3/b8-5+,15-14+,19-9-
InChIKeyRHYDHGGQJXGYKS-ABDPJLGLSA-N
XLogP3.84
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

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Related Compounds

2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3486023
2-[2-(4-chlorophenyl)ethenyl]-5-[3-(2-methoxyphenyl)prop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5268995
(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2141670
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18816455
(5Z)-5-[(4-amino-3,5-ditert-butylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 170014292
(5Z)-5-[(2-chlorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34312433
(5E)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18816598
(5Z)-5-[(E)-3-phenylprop-2-enylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 750757
(5E)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18816586
[3-[(Z)-[6-oxo-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 34312443
[3-[(E)-[6-oxo-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 18816456
(5Z)-5-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6526682

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 18816537) is (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccc(/C=C/c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1.
What is the InChIKey of (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is RHYDHGGQJXGYKS-ABDPJLGLSA-N. The full InChI is InChI=1S/C22H17N3OS/c1-16-10-12-18(13-11-16)14-15-20-23-22-25(24-20)21(26)19(27-22)9-5-8-17-6-3-2-4-7-17/h2-15H,1H3/b8-5+,15-14+,19-9-.
What are the key properties of (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 371.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(E)-2-(4-methylphenyl)ethenyl]-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 18816537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).