[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate

C20H17FN2O3S2 — CID 7676111

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)CSc2ccccc2F)cs1
InChIInChI=1S/C20H17FN2O3S2/c1-14(24)23(16-7-3-2-4-8-16)20-22-15(12-28-20)11-26-19(25)13-27-18-10-6-5-9-17(18)21/h2-10,12H,11,13H2,1H3
InChIKeyZBRPYYBATMPIFN-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.80
Rot. Bonds7

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7676111) has the molecular formula C20H17FN2O3S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7676111
Molecular FormulaC20H17FN2O3S2
Molecular Weight416.50 g/mol
Exact Mass416.07
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)CSc2ccccc2F)cs1
InChIInChI=1S/C20H17FN2O3S2/c1-14(24)23(16-7-3-2-4-8-16)20-22-15(12-28-20)11-26-19(25)13-27-18-10-6-5-9-17(18)21/h2-10,12H,11,13H2,1H3
InChIKeyZBRPYYBATMPIFN-UHFFFAOYSA-N
XLogP4.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate 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-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate (CID 7676111) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate is CC(=O)N(c1ccccc1)c1nc(COC(=O)CSc2ccccc2F)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is ZBRPYYBATMPIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S2/c1-14(24)23(16-7-3-2-4-8-16)20-22-15(12-28-20)11-26-19(25)13-27-18-10-6-5-9-17(18)21/h2-10,12H,11,13H2,1H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 416.50 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7676111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).