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

C18H19NO5S — CID 53270578

IUPAC2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCOC(=O)c1ccc(-c2ccc(C3NC(C(=O)O)CS3)o2)cc1
InChIInChI=1S/C18H19NO5S/c1-2-9-23-18(22)12-5-3-11(4-6-12)14-7-8-15(24-14)16-19-13(10-25-16)17(20)21/h3-8,13,16,19H,2,9-10H2,1H3,(H,20,21)
InChIKeyMFUBZFRPXIHIGS-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.30
Rot. Bonds6

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

2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270578) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270578
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCCOC(=O)c1ccc(-c2ccc(C3NC(C(=O)O)CS3)o2)cc1
InChIInChI=1S/C18H19NO5S/c1-2-9-23-18(22)12-5-3-11(4-6-12)14-7-8-15(24-14)16-19-13(10-25-16)17(20)21/h3-8,13,16,19H,2,9-10H2,1H3,(H,20,21)
InChIKeyMFUBZFRPXIHIGS-UHFFFAOYSA-N
XLogP3.30
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(3-butoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270605
2-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270579
5,5-dimethyl-2-[5-(3-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 53270607
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
ethyl (4S)-4-[5-(4-ethoxycarbonylphenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8651673
ethyl 4-(5-sulfanylfuran-2-yl)benzoate
CID 139299977
(2S,4S)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728198
2-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1,3-thiazolidine-4-carboxylic acid
CID 19615268
propyl 4-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]benzoate
CID 23938061
propyl 4-(4-bromophenyl)benzoate
CID 54182451
diphenyl-(4-propoxycarbonylphenyl)sulfanium
CID 164747685
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid (CID 53270578) is 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid is CCCOC(=O)c1ccc(-c2ccc(C3NC(C(=O)O)CS3)o2)cc1.
What is the InChIKey of 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MFUBZFRPXIHIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-2-9-23-18(22)12-5-3-11(4-6-12)14-7-8-15(24-14)16-19-13(10-25-16)17(20)21/h3-8,13,16,19H,2,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid?
2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-propoxycarbonylphenyl)furan-2-yl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).