2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide

C15H14F3N3O3S3 — CID 47081258

IUPAC2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1
InChIInChI=1S/C15H14F3N3O3S3/c16-15(17,18)25-8-6-19-13(22)12-11(10-4-2-1-3-5-10)21-7-9-27(23,24)20-14(21)26-12/h1-5H,6-9H2,(H,19,22)
InChIKeyIYNJVGFNHBRKSO-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.47
Rot. Bonds5

About 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide

2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 47081258) has the molecular formula C15H14F3N3O3S3 and a molecular weight of 437.49 g/mol. Its IUPAC name is 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID47081258
Molecular FormulaC15H14F3N3O3S3
Molecular Weight437.49 g/mol
Exact Mass437.01
IUPAC Name2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCCSC(F)(F)F)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1
InChIInChI=1S/C15H14F3N3O3S3/c16-15(17,18)25-8-6-19-13(22)12-11(10-4-2-1-3-5-10)21-7-9-27(23,24)20-14(21)26-12/h1-5H,6-9H2,(H,19,22)
InChIKeyIYNJVGFNHBRKSO-UHFFFAOYSA-N
XLogP2.47
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide (CID 47081258) is 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCCSC(F)(F)F)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1.
What is the InChIKey of 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is IYNJVGFNHBRKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S3/c16-15(17,18)25-8-6-19-13(22)12-11(10-4-2-1-3-5-10)21-7-9-27(23,24)20-14(21)26-12/h1-5H,6-9H2,(H,19,22).
What are the key properties of 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-6-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 47081258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).