(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C17H13N3O3S2 — CID 2139446

IUPAC(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1
InChIInChI=1S/C17H13N3O3S2/c1-22-11-5-6-12(23-2)10(8-11)9-14-16(21)20-17(25-14)18-15(19-20)13-4-3-7-24-13/h3-9H,1-2H3/b14-9-
InChIKeyLNNTYPLBGWNTSG-ZROIWOOFSA-N
MW371.44 g/mol
LogP2.44
Rot. Bonds4

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

(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 2139446) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID2139446
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC Name(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1
InChIInChI=1S/C17H13N3O3S2/c1-22-11-5-6-12(23-2)10(8-11)9-14-16(21)20-17(25-14)18-15(19-20)13-4-3-7-24-13/h3-9H,1-2H3/b14-9-
InChIKeyLNNTYPLBGWNTSG-ZROIWOOFSA-N
XLogP2.44
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 2139446) is (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1.
What is the InChIKey of (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is LNNTYPLBGWNTSG-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c1-22-11-5-6-12(23-2)10(8-11)9-14-16(21)20-17(25-14)18-15(19-20)13-4-3-7-24-13/h3-9H,1-2H3/b14-9-.
What are the key properties of (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 371.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 2139446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).