[5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate

C19H24N2O3S — CID 17035279

IUPAC[5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(CC)s/c(=N\c2ccccc2CC)n1C(=O)CC
InChIInChI=1S/C19H24N2O3S/c1-5-13-11-9-10-12-14(13)20-19-21(16(22)7-3)18(15(6-2)25-19)24-17(23)8-4/h9-12H,5-8H2,1-4H3/b20-19-
InChIKeyDYGFYBWFKNDLSN-VXPUYCOJSA-N
MW360.48 g/mol
LogP4.27
Rot. Bonds6

About [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate

[5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate (PubChem CID 17035279) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate.

Molecular Properties

Compound Name[5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate
PubChem CID17035279
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name[5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(CC)s/c(=N\c2ccccc2CC)n1C(=O)CC
InChIInChI=1S/C19H24N2O3S/c1-5-13-11-9-10-12-14(13)20-19-21(16(22)7-3)18(15(6-2)25-19)24-17(23)8-4/h9-12H,5-8H2,1-4H3/b20-19-
InChIKeyDYGFYBWFKNDLSN-VXPUYCOJSA-N
XLogP4.27
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The IUPAC name of [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate (CID 17035279) is [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate.
What is the SMILES notation for [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The canonical SMILES for [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate is CCC(=O)Oc1c(CC)s/c(=N\c2ccccc2CC)n1C(=O)CC.
What is the InChIKey of [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The InChIKey is DYGFYBWFKNDLSN-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-5-13-11-9-10-12-14(13)20-19-21(16(22)7-3)18(15(6-2)25-19)24-17(23)8-4/h9-12H,5-8H2,1-4H3/b20-19-.
What are the key properties of [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate?
[5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate has a molecular weight of 360.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-(2-ethylphenyl)imino-3-propanoyl-1,3-thiazol-4-yl] propanoate is sourced from PubChem (CID 17035279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).