(2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

C13H8FN3O2S — CID 2187585

IUPAC(2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1nn2c(=O)/c(=C/c3cccc(F)c3)sc2nc1=O
InChIInChI=1S/C13H8FN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-3-2-4-9(14)5-8/h2-6H,1H3/b10-6-
InChIKeyPFJBVNOXQAQPMG-POHAHGRESA-N
MW289.29 g/mol
LogP0.51
Rot. Bonds1

About (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

(2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2187585) has the molecular formula C13H8FN3O2S and a molecular weight of 289.29 g/mol. Its IUPAC name is (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2187585
Molecular FormulaC13H8FN3O2S
Molecular Weight289.29 g/mol
Exact Mass289.03
IUPAC Name(2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCc1nn2c(=O)/c(=C/c3cccc(F)c3)sc2nc1=O
InChIInChI=1S/C13H8FN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-3-2-4-9(14)5-8/h2-6H,1H3/b10-6-
InChIKeyPFJBVNOXQAQPMG-POHAHGRESA-N
XLogP0.51
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_H(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2187585) is (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is Cc1nn2c(=O)/c(=C/c3cccc(F)c3)sc2nc1=O.
What is the InChIKey of (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is PFJBVNOXQAQPMG-POHAHGRESA-N. The full InChI is InChI=1S/C13H8FN3O2S/c1-7-11(18)15-13-17(16-7)12(19)10(20-13)6-8-3-2-4-9(14)5-8/h2-6H,1H3/b10-6-.
What are the key properties of (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 289.29 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-fluorophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2187585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).