[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C17H18N2O4S — CID 7954621

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C17H18N2O4S/c1-4-15(21)19-13-7-5-12(6-8-13)14(20)9-23-17(22)16-10(2)18-11(3)24-16/h5-8H,4,9H2,1-3H3,(H,19,21)
InChIKeyWRTHDTIPLBUXTF-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.15
Rot. Bonds6

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954621) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954621
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1
InChIInChI=1S/C17H18N2O4S/c1-4-15(21)19-13-7-5-12(6-8-13)14(20)9-23-17(22)16-10(2)18-11(3)24-16/h5-8H,4,9H2,1-3H3,(H,19,21)
InChIKeyWRTHDTIPLBUXTF-UHFFFAOYSA-N
XLogP3.15
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954621) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is CCC(=O)Nc1ccc(C(=O)COC(=O)c2sc(C)nc2C)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is WRTHDTIPLBUXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-4-15(21)19-13-7-5-12(6-8-13)14(20)9-23-17(22)16-10(2)18-11(3)24-16/h5-8H,4,9H2,1-3H3,(H,19,21).
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).