methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate

C14H17NO3S — CID 139686174

IUPACmethyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1CSC(=Cc2ccccc2OC)C1
InChIInChI=1S/C14H17NO3S/c1-17-13-6-4-3-5-11(13)7-12-8-15(10-19-12)9-14(16)18-2/h3-7H,8-10H2,1-2H3
InChIKeyJGNPPHWNAPCRAG-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate

methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate (PubChem CID 139686174) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
PubChem CID139686174
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Namemethyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1CSC(=Cc2ccccc2OC)C1
InChIInChI=1S/C14H17NO3S/c1-17-13-6-4-3-5-11(13)7-12-8-15(10-19-12)9-14(16)18-2/h3-7H,8-10H2,1-2H3
InChIKeyJGNPPHWNAPCRAG-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate (CID 139686174) is methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate is COC(=O)CN1CSC(=Cc2ccccc2OC)C1.
What is the InChIKey of methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
The InChIKey is JGNPPHWNAPCRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-17-13-6-4-3-5-11(13)7-12-8-15(10-19-12)9-14(16)18-2/h3-7H,8-10H2,1-2H3.
What are the key properties of methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate?
methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate has a molecular weight of 279.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 139686174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).