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

C19H18FN3O3S2 — CID 92701773

IUPAC2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]anilino)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S2/c20-13-6-8-14(9-7-13)21-18(24)10-23(15-4-2-1-3-5-15)19-22-16-11-28(25,26)12-17(16)27-19/h1-9,16-17H,10-12H2,(H,21,24)/t16-,17+/m0/s1
InChIKeyBOLVNPFOAPKOLS-DLBZAZTESA-N
MW419.50 g/mol
LogP2.54
Rot. Bonds4

About 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

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 (PubChem CID 92701773) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]anilino)-N-(4-fluorophenyl)acetamide
PubChem CID92701773
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC Name2-(N-[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]anilino)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3S2/c20-13-6-8-14(9-7-13)21-18(24)10-23(15-4-2-1-3-5-15)19-22-16-11-28(25,26)12-17(16)27-19/h1-9,16-17H,10-12H2,(H,21,24)/t16-,17+/m0/s1
InChIKeyBOLVNPFOAPKOLS-DLBZAZTESA-N
XLogP2.54
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CN(C1=N[C@H]2CS(=O)(=O)C[C@H]2S1)c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 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?
The InChIKey is BOLVNPFOAPKOLS-DLBZAZTESA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c20-13-6-8-14(9-7-13)21-18(24)10-23(15-4-2-1-3-5-15)19-22-16-11-28(25,26)12-17(16)27-19/h1-9,16-17H,10-12H2,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 419.50 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92701773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).