[2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate

C19H15FN2O3S — CID 8676984

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(COC(=O)c1csc(NCc2ccccc2)n1)c1cccc(F)c1
InChIInChI=1S/C19H15FN2O3S/c20-15-8-4-7-14(9-15)17(23)11-25-18(24)16-12-26-19(22-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,22)
InChIKeyNTURHSHZLIHKPA-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.93
Rot. Bonds7

About [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate

[2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate (PubChem CID 8676984) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
PubChem CID8676984
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(COC(=O)c1csc(NCc2ccccc2)n1)c1cccc(F)c1
InChIInChI=1S/C19H15FN2O3S/c20-15-8-4-7-14(9-15)17(23)11-25-18(24)16-12-26-19(22-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,22)
InChIKeyNTURHSHZLIHKPA-UHFFFAOYSA-N
XLogP3.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate (CID 8676984) is [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate is O=C(COC(=O)c1csc(NCc2ccccc2)n1)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is NTURHSHZLIHKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-15-8-4-7-14(9-15)17(23)11-25-18(24)16-12-26-19(22-16)21-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,22).
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate?
[2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 8676984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).