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

C20H17FN2O4S — CID 7810990

IUPAC[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1
InChIInChI=1S/C20H17FN2O4S/c1-13(24)23(17-9-5-4-8-16(17)21)20-22-14(12-28-20)11-27-19(25)15-7-3-6-10-18(15)26-2/h3-10,12H,11H2,1-2H3
InChIKeyYSLDMYMQNHJKHD-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.33
Rot. Bonds6

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

[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate (PubChem CID 7810990) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
PubChem CID7810990
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1
InChIInChI=1S/C20H17FN2O4S/c1-13(24)23(17-9-5-4-8-16(17)21)20-22-14(12-28-20)11-27-19(25)15-7-3-6-10-18(15)26-2/h3-10,12H,11H2,1-2H3
InChIKeyYSLDMYMQNHJKHD-UHFFFAOYSA-N
XLogP4.33
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate?
The IUPAC name of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate (CID 7810990) is [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate.
What is the SMILES notation for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate?
The canonical SMILES for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1csc(N(C(C)=O)c2ccccc2F)n1.
What is the InChIKey of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate?
The InChIKey is YSLDMYMQNHJKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-13(24)23(17-9-5-4-8-16(17)21)20-22-14(12-28-20)11-27-19(25)15-7-3-6-10-18(15)26-2/h3-10,12H,11H2,1-2H3.
What are the key properties of [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate?
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate has a molecular weight of 400.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-methoxybenzoate is sourced from PubChem (CID 7810990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).