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

C20H17F4N3O3S2 — CID 6623625

IUPAC2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F4N3O3S2/c21-12-5-7-13(8-6-12)27(19-26-16-10-32(29,30)11-17(16)31-19)9-18(28)25-15-4-2-1-3-14(15)20(22,23)24/h1-8,16-17H,9-11H2,(H,25,28)
InChIKeyYVYHEOVKQSEAAC-UHFFFAOYSA-N
MW487.50 g/mol
LogP3.56
Rot. Bonds4

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

2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 6623625) has the molecular formula C20H17F4N3O3S2 and a molecular weight of 487.50 g/mol. Its IUPAC name is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID6623625
Molecular FormulaC20H17F4N3O3S2
Molecular Weight487.50 g/mol
Exact Mass487.06
IUPAC Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C20H17F4N3O3S2/c21-12-5-7-13(8-6-12)27(19-26-16-10-32(29,30)11-17(16)31-19)9-18(28)25-15-4-2-1-3-14(15)20(22,23)24/h1-8,16-17H,9-11H2,(H,25,28)
InChIKeyYVYHEOVKQSEAAC-UHFFFAOYSA-N
XLogP3.56
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 53.56
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)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide 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)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 6623625) is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN(C1=NC2CS(=O)(=O)CC2S1)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YVYHEOVKQSEAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O3S2/c21-12-5-7-13(8-6-12)27(19-26-16-10-32(29,30)11-17(16)31-19)9-18(28)25-15-4-2-1-3-14(15)20(22,23)24/h1-8,16-17H,9-11H2,(H,25,28).
What are the key properties of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 487.50 g/mol, XLogP of 3.56, 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)-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 6623625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).