5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C23H24N4O3S — CID 3807898

IUPAC5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCCCOc1ccc(C=c2sc3nc(-c4cccnc4)nn3c2=O)cc1OCC
InChIInChI=1S/C23H24N4O3S/c1-3-5-6-12-30-18-10-9-16(13-19(18)29-4-2)14-20-22(28)27-23(31-20)25-21(26-27)17-8-7-11-24-15-17/h7-11,13-15H,3-6,12H2,1-2H3
InChIKeyGVHYDBKCJRNCLQ-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.73
Rot. Bonds9

About 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3807898) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID3807898
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCCCCCOc1ccc(C=c2sc3nc(-c4cccnc4)nn3c2=O)cc1OCC
InChIInChI=1S/C23H24N4O3S/c1-3-5-6-12-30-18-10-9-16(13-19(18)29-4-2)14-20-22(28)27-23(31-20)25-21(26-27)17-8-7-11-24-15-17/h7-11,13-15H,3-6,12H2,1-2H3
InChIKeyGVHYDBKCJRNCLQ-UHFFFAOYSA-N
XLogP3.73
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,4-diethoxyphenyl)methylidene]-2-(4-pentoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4081855
5-[(4-butoxy-3-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3762610
5-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3709887
5-[(3,4-diethoxyphenyl)methylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3338343
5-[(4-butoxy-3-methoxyphenyl)methylidene]-2-(4-ethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3258706
(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1157563
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2142593
(5Z)-2-(4-butoxyphenyl)-5-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34313361
(5Z)-2-(2-bromophenyl)-5-[(3-ethoxy-4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2043366
(5E)-2-(3,4-dimethoxyphenyl)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2143579
2-[(3-ethoxy-4-propoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3860158
[2-ethoxy-4-[(Z)-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
CID 6523173

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3807898) is 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is CCCCCOc1ccc(C=c2sc3nc(-c4cccnc4)nn3c2=O)cc1OCC.
What is the InChIKey of 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is GVHYDBKCJRNCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-3-5-6-12-30-18-10-9-16(13-19(18)29-4-2)14-20-22(28)27-23(31-20)25-21(26-27)17-8-7-11-24-15-17/h7-11,13-15H,3-6,12H2,1-2H3.
What are the key properties of 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 436.54 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxy-4-pentoxyphenyl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3807898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).