6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

C16H11N3O2S2 — CID 4140170

IUPAC6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCOc1ccc(C=c2sc3nnc(-c4cccs4)n3c2=O)cc1
InChIInChI=1S/C16H11N3O2S2/c1-21-11-6-4-10(5-7-11)9-13-15(20)19-14(12-3-2-8-22-12)17-18-16(19)23-13/h2-9H,1H3
InChIKeyVEPFUPOHORPLLN-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.44
Rot. Bonds3

About 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one

6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 4140170) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID4140170
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC Name6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCOc1ccc(C=c2sc3nnc(-c4cccs4)n3c2=O)cc1
InChIInChI=1S/C16H11N3O2S2/c1-21-11-6-4-10(5-7-11)9-13-15(20)19-14(12-3-2-8-22-12)17-18-16(19)23-13/h2-9H,1H3
InChIKeyVEPFUPOHORPLLN-UHFFFAOYSA-N
XLogP2.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(Z)-(5-oxo-3-pyridin-4-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 18847862
6-[(3,4-dimethoxyphenyl)methylidene]-3-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1239190
6-[(4-ethoxyphenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5143925
6-[(3,4-dimethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3851771
methyl 4-[(5-oxo-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene)methyl]benzoate
CID 1256345
6-[(4-ethoxyphenyl)methylidene]-3-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3653381
(6Z)-3-methyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420518
(6E)-3-phenyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2033029
6-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4102155
(6Z)-6-[(2,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 1042450
3-(4-chlorophenyl)-6-[(4-ethoxyphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 3590320
(6E)-3-(4-chlorophenyl)-6-[(4-methylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2007006

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 4140170) is 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is COc1ccc(C=c2sc3nnc(-c4cccs4)n3c2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is VEPFUPOHORPLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c1-21-11-6-4-10(5-7-11)9-13-15(20)19-14(12-3-2-8-22-12)17-18-16(19)23-13/h2-9H,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 341.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylidene]-3-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 4140170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).