(2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C13H9N3O3S — CID 687605

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1ccc(/C=c2\sc3nc(=O)cnn3c2=O)cc1
InChIInChI=1S/C13H9N3O3S/c1-19-9-4-2-8(3-5-9)6-10-12(18)16-13(20-10)15-11(17)7-14-16/h2-7H,1H3/b10-6-
InChIKeyKURJWPCCYVCWHE-POHAHGRESA-N
MW287.30 g/mol
LogP0.07
Rot. Bonds2

About (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 687605) has the molecular formula C13H9N3O3S and a molecular weight of 287.30 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID687605
Molecular FormulaC13H9N3O3S
Molecular Weight287.30 g/mol
Exact Mass287.04
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1ccc(/C=c2\sc3nc(=O)cnn3c2=O)cc1
InChIInChI=1S/C13H9N3O3S/c1-19-9-4-2-8(3-5-9)6-10-12(18)16-13(20-10)15-11(17)7-14-16/h2-7H,1H3/b10-6-
InChIKeyKURJWPCCYVCWHE-POHAHGRESA-N
XLogP0.07
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione with MolForge

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Related Compounds

2-Imino-5-(4-methoxy-benzylidene)-thiazolidin-4-one
CID 1368524
(2Z)-2-[2-(Allyloxy)benzylidene]-6-methyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 2190715
7-methyl-2-(p-tolyloxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 53326125
2-(4-Methoxyphenyl)-7-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 145989162
2-imino-3-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazolidin-4-one
CID 6904551
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 924659
(2Z)-6-Methyl-2-(2-propoxybenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 1979448
(2Z)-2-(2,5-Dimethoxybenzylidene)-6-methyl-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
CID 2186161
(2Z)-2-(3-Methoxybenzylidene)-6-methyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 5715088
(2Z)-2-(2-Methoxybenzylidene)-6-methyl-7H-[1,3]thiazolo[3,2-B][1,2,4]triazine-3,7(2H)-dione
CID 5872983
Methyl 2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate
CID 333782
(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 6023095

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 687605) is (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is COc1ccc(/C=c2\sc3nc(=O)cnn3c2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is KURJWPCCYVCWHE-POHAHGRESA-N. The full InChI is InChI=1S/C13H9N3O3S/c1-19-9-4-2-8(3-5-9)6-10-12(18)16-13(20-10)15-11(17)7-14-16/h2-7H,1H3/b10-6-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 287.30 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 687605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).