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

C19H13N3O2S2 — CID 2060682

IUPAC(2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCSc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C19H13N3O2S2/c1-25-14-9-7-12(8-10-14)11-15-18(24)22-19(26-15)20-17(23)16(21-22)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKeyAWBJWGQWFDDMIO-RVDMUPIBSA-N
MW379.47 g/mol
LogP2.45
Rot. Bonds3

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

(2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (PubChem CID 2060682) has the molecular formula C19H13N3O2S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.

Molecular Properties

Compound Name(2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
PubChem CID2060682
Molecular FormulaC19H13N3O2S2
Molecular Weight379.47 g/mol
Exact Mass379.04
IUPAC Name(2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
SMILESCSc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C19H13N3O2S2/c1-25-14-9-7-12(8-10-14)11-15-18(24)22-19(26-15)20-17(23)16(21-22)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+
InChIKeyAWBJWGQWFDDMIO-RVDMUPIBSA-N
XLogP2.45
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The IUPAC name of (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CID 2060682) is (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
What is the SMILES notation for (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The canonical SMILES for (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is CSc1ccc(/C=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)cc1.
What is the InChIKey of (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
The InChIKey is AWBJWGQWFDDMIO-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H13N3O2S2/c1-25-14-9-7-12(8-10-14)11-15-18(24)22-19(26-15)20-17(23)16(21-22)13-5-3-2-4-6-13/h2-11H,1H3/b15-11+.
What are the key properties of (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione?
(2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione has a molecular weight of 379.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-methylsulfanylphenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is sourced from PubChem (CID 2060682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).