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

C15H13N3O4S — CID 6023095

IUPAC(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)c(OC)c1
InChIInChI=1S/C15H13N3O4S/c1-8-13(19)16-15-18(17-8)14(20)12(23-15)6-9-4-5-10(21-2)7-11(9)22-3/h4-7H,1-3H3/b12-6-
InChIKeyHZXMJDIKLORSDU-SDQBBNPISA-N
MW331.35 g/mol
LogP0.38
Rot. Bonds3

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

(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 6023095) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID6023095
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCOc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)c(OC)c1
InChIInChI=1S/C15H13N3O4S/c1-8-13(19)16-15-18(17-8)14(20)12(23-15)6-9-4-5-10(21-2)7-11(9)22-3/h4-7H,1-3H3/b12-6-
InChIKeyHZXMJDIKLORSDU-SDQBBNPISA-N
XLogP0.38
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 6023095) is (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is COc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)c(OC)c1.
What is the InChIKey of (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is HZXMJDIKLORSDU-SDQBBNPISA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-8-13(19)16-15-18(17-8)14(20)12(23-15)6-9-4-5-10(21-2)7-11(9)22-3/h4-7H,1-3H3/b12-6-.
What are the key properties of (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 331.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 6023095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).