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

C20H17FN2O3S — CID 8612720

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C20H17FN2O3S/c1-14(24)23(18-5-3-2-4-6-18)20-22-17(13-27-20)12-26-19(25)11-15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3
InChIKeyRNBPDXFJVBZEFF-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.25
Rot. Bonds6

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

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate (PubChem CID 8612720) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate
PubChem CID8612720
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)Cc2ccc(F)cc2)cs1
InChIInChI=1S/C20H17FN2O3S/c1-14(24)23(18-5-3-2-4-6-18)20-22-17(13-27-20)12-26-19(25)11-15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3
InChIKeyRNBPDXFJVBZEFF-UHFFFAOYSA-N
XLogP4.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate (CID 8612720) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate is CC(=O)N(c1ccccc1)c1nc(COC(=O)Cc2ccc(F)cc2)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate?
The InChIKey is RNBPDXFJVBZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-14(24)23(18-5-3-2-4-6-18)20-22-17(13-27-20)12-26-19(25)11-15-7-9-16(21)10-8-15/h2-10,13H,11-12H2,1H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate has a molecular weight of 384.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 8612720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).