[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate

C18H13FN2O3S — CID 2338993

IUPAC[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H13FN2O3S/c19-14-8-6-12(7-9-14)15-11-25-18(20-15)21-16(22)10-24-17(23)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22)
InChIKeyHGILPTASPFHAFY-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.74
Rot. Bonds5

About [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate (PubChem CID 2338993) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate
PubChem CID2338993
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H13FN2O3S/c19-14-8-6-12(7-9-14)15-11-25-18(20-15)21-16(22)10-24-17(23)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22)
InChIKeyHGILPTASPFHAFY-UHFFFAOYSA-N
XLogP3.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate (CID 2338993) is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate?
The InChIKey is HGILPTASPFHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-14-8-6-12(7-9-14)15-11-25-18(20-15)21-16(22)10-24-17(23)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,22).
What are the key properties of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate?
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate has a molecular weight of 356.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 2338993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).