(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C19H15N3OS — CID 19256355

IUPAC(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccccc1/C=c1\sc2nc(Cc3ccccc3)nn2c1=O
InChIInChI=1S/C19H15N3OS/c1-13-7-5-6-10-15(13)12-16-18(23)22-19(24-16)20-17(21-22)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3/b16-12-
InChIKeyVDTZJBWLNJPSQQ-VBKFSLOCSA-N
MW333.42 g/mol
LogP2.60
Rot. Bonds3

About (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 19256355) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID19256355
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccccc1/C=c1\sc2nc(Cc3ccccc3)nn2c1=O
InChIInChI=1S/C19H15N3OS/c1-13-7-5-6-10-15(13)12-16-18(23)22-19(24-16)20-17(21-22)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3/b16-12-
InChIKeyVDTZJBWLNJPSQQ-VBKFSLOCSA-N
XLogP2.60
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5Z)-2-benzyl-5-[(4-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852896
(5Z)-2-benzyl-5-[(2-chloro-6-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852940
[3-[(Z)-(2-benzyl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
CID 19256379
6-benzyl-2-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1417462
6-benzyl-2-[(2-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 3838511
(5Z)-2-[(2-methylphenoxy)methyl]-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6195949
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256253
(2Z)-6-benzyl-2-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184345
(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-5-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,7-dione
CID 44804416
(2Z)-6-[(4-methylphenyl)methyl]-2-[(2-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2010246
(5Z)-5-(anthracen-9-ylmethylidene)-2-propyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256284
6-benzyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 1184343

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 19256355) is (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccccc1/C=c1\sc2nc(Cc3ccccc3)nn2c1=O.
What is the InChIKey of (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is VDTZJBWLNJPSQQ-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-13-7-5-6-10-15(13)12-16-18(23)22-19(24-16)20-17(21-22)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3/b16-12-.
What are the key properties of (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 333.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-benzyl-5-[(2-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 19256355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).