(5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C20H21N3O2S — CID 6125577

IUPAC(5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCOc1ccc(-c2nc3s/c(=C\C4CC=CCC4)c(=O)n3n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-12-25-16-10-8-15(9-11-16)18-21-20-23(22-18)19(24)17(26-20)13-14-6-4-3-5-7-14/h3-4,8-11,13-14H,2,5-7,12H2,1H3/b17-13-
InChIKeyOYICVBITCXVKQU-LGMDPLHJSA-N
MW367.47 g/mol
LogP3.46
Rot. Bonds5

About (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 6125577) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID6125577
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCOc1ccc(-c2nc3s/c(=C\C4CC=CCC4)c(=O)n3n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-12-25-16-10-8-15(9-11-16)18-21-20-23(22-18)19(24)17(26-20)13-14-6-4-3-5-7-14/h3-4,8-11,13-14H,2,5-7,12H2,1H3/b17-13-
InChIKeyOYICVBITCXVKQU-LGMDPLHJSA-N
XLogP3.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-5-[(4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5048515
(5Z)-2-(4-propoxyphenyl)-5-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6074997
5-[(2,6-dichlorophenyl)methylidene]-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3811718
2-(4-fluorophenyl)-5-[(4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3538407
2-(cyclohex-3-en-1-ylmethylidene)-6-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3484442
5-[(3-bromophenyl)methylidene]-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2912289
5-[(4-butoxyphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4099555
(5E)-5-[(4-butoxyphenyl)methylidene]-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 23431111
(5E)-5-[(4-butoxyphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6379113
2-(4-butoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5159817
2-(4-butoxyphenyl)-5-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2912159
2-(4-methylphenyl)-5-[(4-pentoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4601491

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 6125577) is (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CCCOc1ccc(-c2nc3s/c(=C\C4CC=CCC4)c(=O)n3n2)cc1.
What is the InChIKey of (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is OYICVBITCXVKQU-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-12-25-16-10-8-15(9-11-16)18-21-20-23(22-18)19(24)17(26-20)13-14-6-4-3-5-7-14/h3-4,8-11,13-14H,2,5-7,12H2,1H3/b17-13-.
What are the key properties of (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 367.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(cyclohex-3-en-1-ylmethylidene)-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 6125577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).