2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid

C14H17NO4S — CID 115349879

IUPAC2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc2c(cc1C1NC(C(=O)O)CS1)OC(C)C2
InChIInChI=1S/C14H17NO4S/c1-7-3-8-4-12(18-2)9(5-11(8)19-7)13-15-10(6-20-13)14(16)17/h4-5,7,10,13,15H,3,6H2,1-2H3,(H,16,17)
InChIKeySPDZSIAAVLRMPY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.81
Rot. Bonds3

About 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid

2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 115349879) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID115349879
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOc1cc2c(cc1C1NC(C(=O)O)CS1)OC(C)C2
InChIInChI=1S/C14H17NO4S/c1-7-3-8-4-12(18-2)9(5-11(8)19-7)13-15-10(6-20-13)14(16)17/h4-5,7,10,13,15H,3,6H2,1-2H3,(H,16,17)
InChIKeySPDZSIAAVLRMPY-UHFFFAOYSA-N
XLogP1.81
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 19576217
2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827730
(4R)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6610558
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]ethanone
CID 113291875
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
2-(5-bromo-2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 53270150
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
(2S,4S)-2-(6-methyl-1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 1227022
2-(ethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 113291916
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolan-2-one
CID 103439709
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
CID 115349494
1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid (CID 115349879) is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid is COc1cc2c(cc1C1NC(C(=O)O)CS1)OC(C)C2.
What is the InChIKey of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SPDZSIAAVLRMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-7-3-8-4-12(18-2)9(5-11(8)19-7)13-15-10(6-20-13)14(16)17/h4-5,7,10,13,15H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid?
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 115349879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).