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

C17H12N4O2S — CID 713735

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O
InChIInChI=1S/C17H12N4O2S/c1-23-13-5-3-2-4-12(13)10-14-16(22)21-17(24-14)19-15(20-21)11-6-8-18-9-7-11/h2-10H,1H3/b14-10-
InChIKeyAQKFJXXGNABIGO-UVTDQMKNSA-N
MW336.38 g/mol
LogP1.77
Rot. Bonds3

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

(5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 713735) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID713735
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O
InChIInChI=1S/C17H12N4O2S/c1-23-13-5-3-2-4-12(13)10-14-16(22)21-17(24-14)19-15(20-21)11-6-8-18-9-7-11/h2-10H,1H3/b14-10-
InChIKeyAQKFJXXGNABIGO-UVTDQMKNSA-N
XLogP1.77
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 713735) is (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is AQKFJXXGNABIGO-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-23-13-5-3-2-4-12(13)10-14-16(22)21-17(24-14)19-15(20-21)11-6-8-18-9-7-11/h2-10H,1H3/b14-10-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 336.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 713735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).