(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C17H9Cl2N3OS2 — CID 34313133

IUPAC(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nc(/C=C/c3cccs3)nn12
InChIInChI=1S/C17H9Cl2N3OS2/c18-12-5-3-10(8-13(12)19)9-14-16(23)22-17(25-14)20-15(21-22)6-4-11-2-1-7-24-11/h1-9H/b6-4+,14-9-
InChIKeyODSMKKWSAXGTMQ-YFZWXOIXSA-N
MW406.32 g/mol
LogP4.24
Rot. Bonds3

About (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 34313133) has the molecular formula C17H9Cl2N3OS2 and a molecular weight of 406.32 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID34313133
Molecular FormulaC17H9Cl2N3OS2
Molecular Weight406.32 g/mol
Exact Mass404.96
IUPAC Name(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nc(/C=C/c3cccs3)nn12
InChIInChI=1S/C17H9Cl2N3OS2/c18-12-5-3-10(8-13(12)19)9-14-16(23)22-17(25-14)20-15(21-22)6-4-11-2-1-7-24-11/h1-9H/b6-4+,14-9-
InChIKeyODSMKKWSAXGTMQ-YFZWXOIXSA-N
XLogP4.24
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852868
(5Z)-5-[(2-chlorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34312433
2-[2-(4-chlorophenyl)ethenyl]-5-(pyridin-4-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5269001
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18818555
(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
[4-[[2-[2-(4-chlorophenyl)ethenyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]-2-ethoxyphenyl] acetate
CID 5268962
(5Z)-5-[[3-(4-methoxy-2-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18818726
(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
(5Z)-5-[[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18818755
(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
(5E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6318394
(5Z)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18818554

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 34313133) is (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/c2ccc(Cl)c(Cl)c2)sc2nc(/C=C/c3cccs3)nn12.
What is the InChIKey of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is ODSMKKWSAXGTMQ-YFZWXOIXSA-N. The full InChI is InChI=1S/C17H9Cl2N3OS2/c18-12-5-3-10(8-13(12)19)9-14-16(23)22-17(25-14)20-15(21-22)6-4-11-2-1-7-24-11/h1-9H/b6-4+,14-9-.
What are the key properties of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 406.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 34313133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).