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

C14H11N3O2S2 — CID 2189230

IUPAC(2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCSc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1
InChIInChI=1S/C14H11N3O2S2/c1-8-12(18)15-14-17(16-8)13(19)11(21-14)7-9-3-5-10(20-2)6-4-9/h3-7H,1-2H3/b11-7-
InChIKeyKCEFEUORBWGHRX-XFFZJAGNSA-N
MW317.40 g/mol
LogP1.09
Rot. Bonds2

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

(2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2189230) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2189230
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name(2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCSc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1
InChIInChI=1S/C14H11N3O2S2/c1-8-12(18)15-14-17(16-8)13(19)11(21-14)7-9-3-5-10(20-2)6-4-9/h3-7H,1-2H3/b11-7-
InChIKeyKCEFEUORBWGHRX-XFFZJAGNSA-N
XLogP1.09
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2189230) is (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CSc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1.
What is the InChIKey of (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is KCEFEUORBWGHRX-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-8-12(18)15-14-17(16-8)13(19)11(21-14)7-9-3-5-10(20-2)6-4-9/h3-7H,1-2H3/b11-7-.
What are the key properties of (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 317.40 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2189230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).