methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate

C15H17NO2S — CID 139686137

IUPACmethyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate
SMILESCOC(=O)CN1CSC(=CC=Cc2ccccc2)C1
InChIInChI=1S/C15H17NO2S/c1-18-15(17)11-16-10-14(19-12-16)9-5-8-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKeyZMHHOTATJVGRCG-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate

methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate (PubChem CID 139686137) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate
PubChem CID139686137
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate
SMILESCOC(=O)CN1CSC(=CC=Cc2ccccc2)C1
InChIInChI=1S/C15H17NO2S/c1-18-15(17)11-16-10-14(19-12-16)9-5-8-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKeyZMHHOTATJVGRCG-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 139686174
methyl 2-[5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 139686166
methyl 2-[5-[(4-cyanophenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 139686157
2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 139686110
methyl 2-[(5Z)-3-methyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-1-yl]acetate
CID 2189994
2-[5-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 139686082
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
ethyl 3,5-dicinnamylidene-4-oxopiperidine-1-carboxylate
CID 1283579
ethyl 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetate
CID 6445279
dimethyl 2-[(2E,4E)-5-phenylpenta-2,4-dienoyl]oxybutanedioate
CID 170020960
methyl 3-oxo-5-[(2E,4E)-5-phenylpenta-2,4-dienoxy]pentanoate
CID 146653275

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate (CID 139686137) is methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate is COC(=O)CN1CSC(=CC=Cc2ccccc2)C1.
What is the InChIKey of methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate?
The InChIKey is ZMHHOTATJVGRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-18-15(17)11-16-10-14(19-12-16)9-5-8-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3.
What are the key properties of methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate?
methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate has a molecular weight of 275.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-cinnamylidene-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 139686137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).