3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C13H14N2O4S — CID 63793205

IUPAC3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H14N2O4S/c1-7-15(10(6-20-7)13(18)19)12(17)9-4-2-8(3-5-9)11(14)16/h2-5,7,10H,6H2,1H3,(H2,14,16)(H,18,19)
InChIKeyPOABLMJPEAZWRH-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.77
Rot. Bonds3

About 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63793205) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63793205
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H14N2O4S/c1-7-15(10(6-20-7)13(18)19)12(17)9-4-2-8(3-5-9)11(14)16/h2-5,7,10H,6H2,1H3,(H2,14,16)(H,18,19)
InChIKeyPOABLMJPEAZWRH-UHFFFAOYSA-N
XLogP0.77
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
3-(4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791430
3-(3-amino-4-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792511
2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104669661
3-(4-fluoro-3-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792472
3-(3,5-difluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793201
3-(4-bromo-3-chlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 81290888
3-(3-chloro-4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103219146
2-methyl-3-(5-methylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114819012
3-(3-fluoro-4-methoxybenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792333
2-methyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792326
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791089

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63793205) is 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is POABLMJPEAZWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-7-15(10(6-20-7)13(18)19)12(17)9-4-2-8(3-5-9)11(14)16/h2-5,7,10H,6H2,1H3,(H2,14,16)(H,18,19).
What are the key properties of 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63793205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).