(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C18H13N3OS — CID 6010358

IUPAC(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1cccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c1
InChIInChI=1S/C18H13N3OS/c1-12-6-5-7-13(10-12)11-15-17(22)21-16(19-20-18(21)23-15)14-8-3-2-4-9-14/h2-11H,1H3/b15-11+
InChIKeyHLXAZOAKXMVZDU-RVDMUPIBSA-N
MW319.39 g/mol
LogP2.67
Rot. Bonds2

About (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 6010358) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID6010358
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1cccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c1
InChIInChI=1S/C18H13N3OS/c1-12-6-5-7-13(10-12)11-15-17(22)21-16(19-20-18(21)23-15)14-8-3-2-4-9-14/h2-11H,1H3/b15-11+
InChIKeyHLXAZOAKXMVZDU-RVDMUPIBSA-N
XLogP2.67
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-phenoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3746185
6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4264083
(6E)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6371569
(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6049577
methyl 4-[(5-oxo-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene)methyl]benzoate
CID 1256345
(6Z)-6-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5294431
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
(6E)-3-phenyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2033029
6-[(2-ethoxyphenyl)methylidene]-3-(3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3403665
(6E)-6-[(2-chlorophenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2236350
(6E)-3-(4-chlorophenyl)-6-[(4-methylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2007006
6-[(2-fluorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 937809

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 6010358) is (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1cccc(/C=c2/sc3nnc(-c4ccccc4)n3c2=O)c1.
What is the InChIKey of (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is HLXAZOAKXMVZDU-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-12-6-5-7-13(10-12)11-15-17(22)21-16(19-20-18(21)23-15)14-8-3-2-4-9-14/h2-11H,1H3/b15-11+.
What are the key properties of (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 319.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(3-methylphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 6010358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).