1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one

C14H10F3N3O3S2 — CID 2820510

IUPAC1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one
SMILESCN1c2ccsc2C(=O)C(=NNc2cccc(C(F)(F)F)c2)S1(=O)=O
InChIInChI=1S/C14H10F3N3O3S2/c1-20-10-5-6-24-12(10)11(21)13(25(20,22)23)19-18-9-4-2-3-8(7-9)14(15,16)17/h2-7,18H,1H3
InChIKeyYJGJDDUKILWJHN-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.15
Rot. Bonds2

About 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one

1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one (PubChem CID 2820510) has the molecular formula C14H10F3N3O3S2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one
PubChem CID2820510
Molecular FormulaC14H10F3N3O3S2
Molecular Weight389.38 g/mol
Exact Mass389.01
IUPAC Name1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one
SMILESCN1c2ccsc2C(=O)C(=NNc2cccc(C(F)(F)F)c2)S1(=O)=O
InChIInChI=1S/C14H10F3N3O3S2/c1-20-10-5-6-24-12(10)11(21)13(25(20,22)23)19-18-9-4-2-3-8(7-9)14(15,16)17/h2-7,18H,1H3
InChIKeyYJGJDDUKILWJHN-UHFFFAOYSA-N
XLogP3.15
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one?
The IUPAC name of 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one (CID 2820510) is 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one.
What is the SMILES notation for 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one?
The canonical SMILES for 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one is CN1c2ccsc2C(=O)C(=NNc2cccc(C(F)(F)F)c2)S1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one?
The InChIKey is YJGJDDUKILWJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S2/c1-20-10-5-6-24-12(10)11(21)13(25(20,22)23)19-18-9-4-2-3-8(7-9)14(15,16)17/h2-7,18H,1H3.
What are the key properties of 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one?
1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one has a molecular weight of 389.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one is sourced from PubChem (CID 2820510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).