[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C16H17FN2O3S — CID 7954461

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O3S/c1-10-15(23-11(2)19-10)16(21)22-9-14(20)18-8-7-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3,(H,18,20)
InChIKeyJOAWHXXQDWGQHG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.41
Rot. Bonds6

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954461) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954461
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCC(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O3S/c1-10-15(23-11(2)19-10)16(21)22-9-14(20)18-8-7-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3,(H,18,20)
InChIKeyJOAWHXXQDWGQHG-UHFFFAOYSA-N
XLogP2.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954461) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)NCCc2ccc(F)cc2)s1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is JOAWHXXQDWGQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-10-15(23-11(2)19-10)16(21)22-9-14(20)18-8-7-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3,(H,18,20).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).