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

C17H19ClN2O3S — CID 17035295

IUPAC[2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(CC)s/c(=N\c2ccccc2Cl)n1C(=O)CC
InChIInChI=1S/C17H19ClN2O3S/c1-4-13-16(23-15(22)6-3)20(14(21)5-2)17(24-13)19-12-10-8-7-9-11(12)18/h7-10H,4-6H2,1-3H3/b19-17-
InChIKeyUCXVEXIORCHCAR-ZPHPHTNESA-N
MW366.87 g/mol
LogP4.36
Rot. Bonds5

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

[2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate (PubChem CID 17035295) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
PubChem CID17035295
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name[2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate
SMILESCCC(=O)Oc1c(CC)s/c(=N\c2ccccc2Cl)n1C(=O)CC
InChIInChI=1S/C17H19ClN2O3S/c1-4-13-16(23-15(22)6-3)20(14(21)5-2)17(24-13)19-12-10-8-7-9-11(12)18/h7-10H,4-6H2,1-3H3/b19-17-
InChIKeyUCXVEXIORCHCAR-ZPHPHTNESA-N
XLogP4.36
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The IUPAC name of [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate (CID 17035295) is [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate.
What is the SMILES notation for [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The canonical SMILES for [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate is CCC(=O)Oc1c(CC)s/c(=N\c2ccccc2Cl)n1C(=O)CC.
What is the InChIKey of [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
The InChIKey is UCXVEXIORCHCAR-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-4-13-16(23-15(22)6-3)20(14(21)5-2)17(24-13)19-12-10-8-7-9-11(12)18/h7-10H,4-6H2,1-3H3/b19-17-.
What are the key properties of [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate?
[2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate has a molecular weight of 366.87 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)imino-5-ethyl-3-propanoyl-1,3-thiazol-4-yl] propanoate is sourced from PubChem (CID 17035295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).