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

C19H24N2O3S — CID 17035283

IUPAC[2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(CC)s/c(=N\c2cc(C)ccc2C)n1C(=O)CC
InChIInChI=1S/C19H24N2O3S/c1-6-15-18(24-17(23)8-3)21(16(22)7-2)19(25-15)20-14-11-12(4)9-10-13(14)5/h9-11H,6-8H2,1-5H3/b20-19-
InChIKeyKIUDXIJOZCEOCB-VXPUYCOJSA-N
MW360.48 g/mol
LogP4.33
Rot. Bonds5

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

[2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate (PubChem CID 17035283) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
PubChem CID17035283
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name[2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(CC)s/c(=N\c2cc(C)ccc2C)n1C(=O)CC
InChIInChI=1S/C19H24N2O3S/c1-6-15-18(24-17(23)8-3)21(16(22)7-2)19(25-15)20-14-11-12(4)9-10-13(14)5/h9-11H,6-8H2,1-5H3/b20-19-
InChIKeyKIUDXIJOZCEOCB-VXPUYCOJSA-N
XLogP4.33
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The IUPAC name of [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate (CID 17035283) is [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The canonical SMILES for [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate is CCC(=O)Oc1c(CC)s/c(=N\c2cc(C)ccc2C)n1C(=O)CC.
What is the InChIKey of [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The InChIKey is KIUDXIJOZCEOCB-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-6-15-18(24-17(23)8-3)21(16(22)7-2)19(25-15)20-14-11-12(4)9-10-13(14)5/h9-11H,6-8H2,1-5H3/b20-19-.
What are the key properties of [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
[2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate has a molecular weight of 360.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate is sourced from PubChem (CID 17035283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).