2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid

C15H13Cl2NO4S — CID 19615268

IUPAC2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(COc3c(Cl)cccc3Cl)o2)N1
InChIInChI=1S/C15H13Cl2NO4S/c16-9-2-1-3-10(17)13(9)21-6-8-4-5-12(22-8)14-18-11(7-23-14)15(19)20/h1-5,11,14,18H,6-7H2,(H,19,20)
InChIKeyTZRQVNAOFSMRFZ-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.95
Rot. Bonds5

About 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid

2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 19615268) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID19615268
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(COc3c(Cl)cccc3Cl)o2)N1
InChIInChI=1S/C15H13Cl2NO4S/c16-9-2-1-3-10(17)13(9)21-6-8-4-5-12(22-8)14-18-11(7-23-14)15(19)20/h1-5,11,14,18H,6-7H2,(H,19,20)
InChIKeyTZRQVNAOFSMRFZ-UHFFFAOYSA-N
XLogP3.95
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid (CID 19615268) is 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(COc3c(Cl)cccc3Cl)o2)N1.
What is the InChIKey of 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is TZRQVNAOFSMRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c16-9-2-1-3-10(17)13(9)21-6-8-4-5-12(22-8)14-18-11(7-23-14)15(19)20/h1-5,11,14,18H,6-7H2,(H,19,20).
What are the key properties of 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 374.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 19615268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).