2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid

C17H22N2O4S — CID 119255264

IUPAC2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
SMILESCCCCC(=O)N1CSCC1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C17H22N2O4S/c1-3-4-5-15(20)19-10-24-9-14(19)16(21)18-12-7-6-11(2)13(8-12)17(22)23/h6-8,14H,3-5,9-10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyQUOQKLAHGSPBNB-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.72
Rot. Bonds6

About 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid

2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid (PubChem CID 119255264) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
PubChem CID119255264
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
SMILESCCCCC(=O)N1CSCC1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C17H22N2O4S/c1-3-4-5-15(20)19-10-24-9-14(19)16(21)18-12-7-6-11(2)13(8-12)17(22)23/h6-8,14H,3-5,9-10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyQUOQKLAHGSPBNB-UHFFFAOYSA-N
XLogP2.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222924
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 24715030
7-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]heptanoic acid
CID 119227531
(4S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 95737506
N-(2-amino-2-phenylethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119529034
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
N-(furan-2-ylmethyl)-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 42744735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid (CID 119255264) is 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid is CCCCC(=O)N1CSCC1C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The InChIKey is QUOQKLAHGSPBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-3-4-5-15(20)19-10-24-9-14(19)16(21)18-12-7-6-11(2)13(8-12)17(22)23/h6-8,14H,3-5,9-10H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid has a molecular weight of 350.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 119255264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).