2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C16H15Cl2NO3S — CID 53270491

IUPAC2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ccc(-c3cccc(Cl)c3Cl)o2)NC1C(=O)O
InChIInChI=1S/C16H15Cl2NO3S/c1-16(2)13(15(20)21)19-14(23-16)11-7-6-10(22-11)8-4-3-5-9(17)12(8)18/h3-7,13-14,19H,1-2H3,(H,20,21)
InChIKeyFLTAWDRADICZEX-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.82
Rot. Bonds3

About 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270491) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270491
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC Name2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(c2ccc(-c3cccc(Cl)c3Cl)o2)NC1C(=O)O
InChIInChI=1S/C16H15Cl2NO3S/c1-16(2)13(15(20)21)19-14(23-16)11-7-6-10(22-11)8-4-3-5-9(17)12(8)18/h3-7,13-14,19H,1-2H3,(H,20,21)
InChIKeyFLTAWDRADICZEX-UHFFFAOYSA-N
XLogP4.82
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 53270491) is 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(c2ccc(-c3cccc(Cl)c3Cl)o2)NC1C(=O)O.
What is the InChIKey of 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FLTAWDRADICZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-16(2)13(15(20)21)19-14(23-16)11-7-6-10(22-11)8-4-3-5-9(17)12(8)18/h3-7,13-14,19H,1-2H3,(H,20,21).
What are the key properties of 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 372.27 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dichlorophenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).