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

C20H15N3O2S — CID 2141670

IUPAC(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1
InChIInChI=1S/C20H15N3O2S/c1-25-16-12-10-15(11-13-16)18-21-20-23(22-18)19(24)17(26-20)9-5-8-14-6-3-2-4-7-14/h2-13H,1H3/b8-5+,17-9-
InChIKeyCBZPKNIQKIYLGG-WIXUPIFPSA-N
MW361.43 g/mol
LogP3.04
Rot. Bonds4

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

(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 2141670) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID2141670
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1
InChIInChI=1S/C20H15N3O2S/c1-25-16-12-10-15(11-13-16)18-21-20-23(22-18)19(24)17(26-20)9-5-8-14-6-3-2-4-7-14/h2-13H,1H3/b8-5+,17-9-
InChIKeyCBZPKNIQKIYLGG-WIXUPIFPSA-N
XLogP3.04
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-5-[3-(2-methoxyphenyl)prop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5143569
(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
(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
(5Z)-2-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6156290
2-(4-hexoxyphenyl)-5-[3-(2-methoxyphenyl)prop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3324488
2-(4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 696170
(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
(5Z)-2-(4-methoxyphenyl)-5-[(4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6172632
(5E)-5-[(4-butoxyphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6379113
2-(4-methoxyphenyl)-5-[(4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5048515
5-[(4-butoxyphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4099555
2-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1326850

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 2141670) is (5Z)-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1.
What is the InChIKey of (5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CBZPKNIQKIYLGG-WIXUPIFPSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-25-16-12-10-15(11-13-16)18-21-20-23(22-18)19(24)17(26-20)9-5-8-14-6-3-2-4-7-14/h2-13H,1H3/b8-5+,17-9-.
What are the key properties of (5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 361.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-methoxyphenyl)-5-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 2141670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).