2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide

C20H18F3N3O3S2 — CID 16815536

IUPAC2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide
SMILESO=C(CN(C1=NC2CS(=O)(=O)CC2S1)c1cccc(C(F)(F)F)c1)Nc1ccccc1
InChIInChI=1S/C20H18F3N3O3S2/c21-20(22,23)13-5-4-8-15(9-13)26(10-18(27)24-14-6-2-1-3-7-14)19-25-16-11-31(28,29)12-17(16)30-19/h1-9,16-17H,10-12H2,(H,24,27)
InChIKeyUTZKOWXHWWTNEK-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.42
Rot. Bonds4

About 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide

2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide (PubChem CID 16815536) has the molecular formula C20H18F3N3O3S2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide
PubChem CID16815536
Molecular FormulaC20H18F3N3O3S2
Molecular Weight469.51 g/mol
Exact Mass469.07
IUPAC Name2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide
SMILESO=C(CN(C1=NC2CS(=O)(=O)CC2S1)c1cccc(C(F)(F)F)c1)Nc1ccccc1
InChIInChI=1S/C20H18F3N3O3S2/c21-20(22,23)13-5-4-8-15(9-13)26(10-18(27)24-14-6-2-1-3-7-14)19-25-16-11-31(28,29)12-17(16)30-19/h1-9,16-17H,10-12H2,(H,24,27)
InChIKeyUTZKOWXHWWTNEK-UHFFFAOYSA-N
XLogP3.42
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide?
The IUPAC name of 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide (CID 16815536) is 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide.
What is the SMILES notation for 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide?
The canonical SMILES for 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide is O=C(CN(C1=NC2CS(=O)(=O)CC2S1)c1cccc(C(F)(F)F)c1)Nc1ccccc1.
What is the InChIKey of 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide?
The InChIKey is UTZKOWXHWWTNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S2/c21-20(22,23)13-5-4-8-15(9-13)26(10-18(27)24-14-6-2-1-3-7-14)19-25-16-11-31(28,29)12-17(16)30-19/h1-9,16-17H,10-12H2,(H,24,27).
What are the key properties of 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide?
2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide has a molecular weight of 469.51 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3-(trifluoromethyl)anilino]-N-phenylacetamide is sourced from PubChem (CID 16815536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).