2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C15H15NO4S — CID 63792153

IUPAC2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc2oc(C(=O)N3C(C)SCC3C(=O)O)cc2c1
InChIInChI=1S/C15H15NO4S/c1-8-3-4-12-10(5-8)6-13(20-12)14(17)16-9(2)21-7-11(16)15(18)19/h3-6,9,11H,7H2,1-2H3,(H,18,19)
InChIKeyDWCHDGOBZGZDPI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.73
Rot. Bonds2

About 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792153) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792153
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc2oc(C(=O)N3C(C)SCC3C(=O)O)cc2c1
InChIInChI=1S/C15H15NO4S/c1-8-3-4-12-10(5-8)6-13(20-12)14(17)16-9(2)21-7-11(16)15(18)19/h3-6,9,11H,7H2,1-2H3,(H,18,19)
InChIKeyDWCHDGOBZGZDPI-UHFFFAOYSA-N
XLogP2.73
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-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

Benzofuran-2-yl(pyrrolidin-1-yl)methanone
CID 977385
N-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 4497909
{(2S)-1-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl}methanol
CID 23723343
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2908445
((S)-2-(Diethylaminomethyl)pyrrolidin-1-yl)-(5-(trifluoromethyl)benzofuran-2-yl)methanone
CID 44411604
N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 67511180
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3351955
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 3646157
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethoxybenzyl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 3738243
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3827276
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 16013054
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-methoxybenzyl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 16013208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63792153) is 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is Cc1ccc2oc(C(=O)N3C(C)SCC3C(=O)O)cc2c1.
What is the InChIKey of 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DWCHDGOBZGZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-8-3-4-12-10(5-8)6-13(20-12)14(17)16-9(2)21-7-11(16)15(18)19/h3-6,9,11H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-1-benzofuran-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).