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

C21H20F3N3O3S2 — CID 92669316

IUPAC2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1
InChIInChI=1S/C21H20F3N3O3S2/c1-13-4-2-7-16(8-13)27(20-26-17-11-32(29,30)12-18(17)31-20)10-19(28)25-15-6-3-5-14(9-15)21(22,23)24/h2-9,17-18H,10-12H2,1H3,(H,25,28)/t17-,18-/m0/s1
InChIKeyIMOBIMAURAHTAT-ROUUACIJSA-N
MW483.54 g/mol
LogP3.73
Rot. Bonds4

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

2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 92669316) has the molecular formula C21H20F3N3O3S2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID92669316
Molecular FormulaC21H20F3N3O3S2
Molecular Weight483.54 g/mol
Exact Mass483.09
IUPAC Name2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1
InChIInChI=1S/C21H20F3N3O3S2/c1-13-4-2-7-16(8-13)27(20-26-17-11-32(29,30)12-18(17)31-20)10-19(28)25-15-6-3-5-14(9-15)21(22,23)24/h2-9,17-18H,10-12H2,1H3,(H,25,28)/t17-,18-/m0/s1
InChIKeyIMOBIMAURAHTAT-ROUUACIJSA-N
XLogP3.73
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-(4-chloro-N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)anilino)-N-(3-methylphenyl)acetamide
CID 23603687
2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3,4-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 92669327
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 92701743
2-(N-[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3,5-dimethylanilino)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 2137546
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-3,5-dimethylanilino)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 16896457
2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 92669299
2-(N-[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-ethylanilino)-N-(4-fluorophenyl)acetamide
CID 2141016
(3aS,6aR)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
CID 92701759
3-[[N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-(trifluoromethyl)anilino]methyl]-4-methoxybenzaldehyde
CID 6592505
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 6591963
(3aR,6aR)-N-(3,5-dimethylphenyl)-N-[(2,5-dimethylphenyl)methyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
CID 92716723

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 92669316) is 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cccc(N(CC(=O)Nc2cccc(C(F)(F)F)c2)C2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1.
What is the InChIKey of 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IMOBIMAURAHTAT-ROUUACIJSA-N. The full InChI is InChI=1S/C21H20F3N3O3S2/c1-13-4-2-7-16(8-13)27(20-26-17-11-32(29,30)12-18(17)31-20)10-19(28)25-15-6-3-5-14(9-15)21(22,23)24/h2-9,17-18H,10-12H2,1H3,(H,25,28)/t17-,18-/m0/s1.
What are the key properties of 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 483.54 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-3-methylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 92669316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).