[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate

C19H14F2N2O3S — CID 7789280

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
SMILESCC(=O)N(c1nc(COC(=O)c2ccc(F)cc2)cs1)c1ccccc1F
InChIInChI=1S/C19H14F2N2O3S/c1-12(24)23(17-5-3-2-4-16(17)21)19-22-15(11-27-19)10-26-18(25)13-6-8-14(20)9-7-13/h2-9,11H,10H2,1H3
InChIKeyXBZJVUVROGTXJS-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.46
Rot. Bonds5

About [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate (PubChem CID 7789280) has the molecular formula C19H14F2N2O3S and a molecular weight of 388.40 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
PubChem CID7789280
Molecular FormulaC19H14F2N2O3S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
SMILESCC(=O)N(c1nc(COC(=O)c2ccc(F)cc2)cs1)c1ccccc1F
InChIInChI=1S/C19H14F2N2O3S/c1-12(24)23(17-5-3-2-4-16(17)21)19-22-15(11-27-19)10-26-18(25)13-6-8-14(20)9-7-13/h2-9,11H,10H2,1H3
InChIKeyXBZJVUVROGTXJS-UHFFFAOYSA-N
XLogP4.46
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate (CID 7789280) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate is CC(=O)N(c1nc(COC(=O)c2ccc(F)cc2)cs1)c1ccccc1F.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The InChIKey is XBZJVUVROGTXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3S/c1-12(24)23(17-5-3-2-4-16(17)21)19-22-15(11-27-19)10-26-18(25)13-6-8-14(20)9-7-13/h2-9,11H,10H2,1H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate has a molecular weight of 388.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate is sourced from PubChem (CID 7789280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).