methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate

C17H19NO3S — CID 139686159

IUPACmethyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1CSC(c2ccc(OC)c3ccccc23)C1
InChIInChI=1S/C17H19NO3S/c1-20-15-8-7-14(12-5-3-4-6-13(12)15)16-9-18(11-22-16)10-17(19)21-2/h3-8,16H,9-11H2,1-2H3
InChIKeyMDHGFIMILALCFW-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.07
Rot. Bonds4

About methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate

methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate (PubChem CID 139686159) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate
PubChem CID139686159
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Namemethyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate
SMILESCOC(=O)CN1CSC(c2ccc(OC)c3ccccc23)C1
InChIInChI=1S/C17H19NO3S/c1-20-15-8-7-14(12-5-3-4-6-13(12)15)16-9-18(11-22-16)10-17(19)21-2/h3-8,16H,9-11H2,1-2H3
InChIKeyMDHGFIMILALCFW-UHFFFAOYSA-N
XLogP3.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate (CID 139686159) is methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate is COC(=O)CN1CSC(c2ccc(OC)c3ccccc23)C1.
What is the InChIKey of methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate?
The InChIKey is MDHGFIMILALCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-15-8-7-14(12-5-3-4-6-13(12)15)16-9-18(11-22-16)10-17(19)21-2/h3-8,16H,9-11H2,1-2H3.
What are the key properties of methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate?
methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate has a molecular weight of 317.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-methoxynaphthalen-1-yl)-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 139686159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).