2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H14N4OS — CID 3486023

IUPAC2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(C=Cc2nc3sc(=Cc4cccnc4)c(=O)n3n2)cc1
InChIInChI=1S/C19H14N4OS/c1-13-4-6-14(7-5-13)8-9-17-21-19-23(22-17)18(24)16(25-19)11-15-3-2-10-20-12-15/h2-12H,1H3
InChIKeyPJPNFQVMQKGUIF-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.57
Rot. Bonds3

About 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 3486023) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID3486023
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccc(C=Cc2nc3sc(=Cc4cccnc4)c(=O)n3n2)cc1
InChIInChI=1S/C19H14N4OS/c1-13-4-6-14(7-5-13)8-9-17-21-19-23(22-17)18(24)16(25-19)11-15-3-2-10-20-12-15/h2-12H,1H3
InChIKeyPJPNFQVMQKGUIF-UHFFFAOYSA-N
XLogP2.57
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[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

(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256146
(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
(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
2-[2-(4-chlorophenyl)ethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269001
(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-[(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-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-[(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
[2-bromo-6-methoxy-4-[(E)-[2-[(E)-2-(4-methylphenyl)ethenyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 18816517
(5E)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18816548

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 3486023) is 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccc(C=Cc2nc3sc(=Cc4cccnc4)c(=O)n3n2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is PJPNFQVMQKGUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-13-4-6-14(7-5-13)8-9-17-21-19-23(22-17)18(24)16(25-19)11-15-3-2-10-20-12-15/h2-12H,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 346.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethenyl]-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 3486023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).