4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid

C11H13NO5S — CID 71252082

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1C(=O)O
InChIInChI=1S/C11H13NO5S/c1-17-10-7-8(3-4-9(10)11(13)14)12-5-2-6-18(12,15)16/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyHXGKDDHDJNLALM-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.93
Rot. Bonds3

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid (PubChem CID 71252082) has the molecular formula C11H13NO5S and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
PubChem CID71252082
Molecular FormulaC11H13NO5S
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
SMILESCOc1cc(N2CCCS2(=O)=O)ccc1C(=O)O
InChIInChI=1S/C11H13NO5S/c1-17-10-7-8(3-4-9(10)11(13)14)12-5-2-6-18(12,15)16/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyHXGKDDHDJNLALM-UHFFFAOYSA-N
XLogP0.93
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
CID 170557126
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
phenyl N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]carbamate
CID 7627629
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methylbenzamide
CID 7627594
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 43955579
5-chloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 7483243
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-5-nitrobenzamide
CID 43955576
(E)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-phenylbut-2-enamide
CID 110304501
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
CID 44901585

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid (CID 71252082) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid is COc1cc(N2CCCS2(=O)=O)ccc1C(=O)O.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid?
The InChIKey is HXGKDDHDJNLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5S/c1-17-10-7-8(3-4-9(10)11(13)14)12-5-2-6-18(12,15)16/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid has a molecular weight of 271.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 71252082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).