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

C19H15FN2O3S — CID 7789263

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C19H15FN2O3S/c1-13(23)22(17-5-3-2-4-6-17)19-21-16(12-26-19)11-25-18(24)14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3
InChIKeyUZULZJTYICPGLV-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.32
Rot. Bonds5

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

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate (PubChem CID 7789263) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
PubChem CID7789263
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C19H15FN2O3S/c1-13(23)22(17-5-3-2-4-6-17)19-21-16(12-26-19)11-25-18(24)14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3
InChIKeyUZULZJTYICPGLV-UHFFFAOYSA-N
XLogP4.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.32
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 4-fluorobenzoate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate (CID 7789263) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate is CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
The InChIKey is UZULZJTYICPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-13(23)22(17-5-3-2-4-6-17)19-21-16(12-26-19)11-25-18(24)14-7-9-15(20)10-8-14/h2-10,12H,11H2,1H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate has a molecular weight of 370.41 g/mol, XLogP of 4.32, 5 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 4-fluorobenzoate is sourced from PubChem (CID 7789263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).