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

C22H24FN3O3S2 — CID 23603694

IUPAC2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H24FN3O3S2/c1-13-8-14(2)21(15(3)9-13)25-20(27)10-26(17-6-4-16(23)5-7-17)22-24-18-11-31(28,29)12-19(18)30-22/h4-9,18-19H,10-12H2,1-3H3,(H,25,27)
InChIKeyUCFWIPMDAIDGMJ-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.46
Rot. Bonds4

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

2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 23603694) has the molecular formula C22H24FN3O3S2 and a molecular weight of 461.58 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-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)acetamide
PubChem CID23603694
Molecular FormulaC22H24FN3O3S2
Molecular Weight461.58 g/mol
Exact Mass461.12
IUPAC Name2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H24FN3O3S2/c1-13-8-14(2)21(15(3)9-13)25-20(27)10-26(17-6-4-16(23)5-7-17)22-24-18-11-31(28,29)12-19(18)30-22/h4-9,18-19H,10-12H2,1-3H3,(H,25,27)
InChIKeyUCFWIPMDAIDGMJ-UHFFFAOYSA-N
XLogP3.46
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.46
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-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

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]-4-ethylanilino)-N-(4-fluorophenyl)acetamide
CID 2141016
2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]anilino)-N-(4-fluorophenyl)acetamide
CID 92701773
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]-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-(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-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 6591963
2-(N-[(3aR,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-propan-2-ylanilino)-N-(4-ethoxyphenyl)acetamide
CID 2138389
(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
(3aS,6aR)-N-[(2,5-dimethylphenyl)methyl]-5,5-dioxo-N-(4-propan-2-ylphenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
CID 92716769

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-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)acetamide (CID 23603694) is 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)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-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2ccc(F)cc2)c(C)c1.
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-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is UCFWIPMDAIDGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S2/c1-13-8-14(2)21(15(3)9-13)25-20(27)10-26(17-6-4-16(23)5-7-17)22-24-18-11-31(28,29)12-19(18)30-22/h4-9,18-19H,10-12H2,1-3H3,(H,25,27).
What are the key properties of 2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(N-(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-4-fluoroanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 461.58 g/mol, XLogP of 3.46, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 23603694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).