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

C15H13N3O2S — CID 2139141

IUPAC(2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCc1ccc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc1
InChIInChI=1S/C15H13N3O2S/c1-3-10-4-6-11(7-5-10)8-12-14(20)18-15(21-12)16-13(19)9(2)17-18/h4-8H,3H2,1-2H3/b12-8+
InChIKeyJWYWPRKXCCEKHQ-XYOKQWHBSA-N
MW299.36 g/mol
LogP0.93
Rot. Bonds2

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

(2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2139141) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2139141
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCCc1ccc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc1
InChIInChI=1S/C15H13N3O2S/c1-3-10-4-6-11(7-5-10)8-12-14(20)18-15(21-12)16-13(19)9(2)17-18/h4-8H,3H2,1-2H3/b12-8+
InChIKeyJWYWPRKXCCEKHQ-XYOKQWHBSA-N
XLogP0.93
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.93
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 (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2139141) is (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CCc1ccc(/C=c2/sc3nc(=O)c(C)nn3c2=O)cc1.
What is the InChIKey of (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is JWYWPRKXCCEKHQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-3-10-4-6-11(7-5-10)8-12-14(20)18-15(21-12)16-13(19)9(2)17-18/h4-8H,3H2,1-2H3/b12-8+.
What are the key properties of (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 299.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-ethylphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2139141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).