3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C15H19NO4S — CID 82810538

IUPAC3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cccc(O)c1C
InChIInChI=1S/C15H19NO4S/c1-3-5-13-16(11(8-21-13)15(19)20)14(18)10-6-4-7-12(17)9(10)2/h4,6-7,11,13,17H,3,5,8H2,1-2H3,(H,19,20)
InChIKeyFWNRTIGKZNFBTF-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.47
Rot. Bonds4

About 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 82810538) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID82810538
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cccc(O)c1C
InChIInChI=1S/C15H19NO4S/c1-3-5-13-16(11(8-21-13)15(19)20)14(18)10-6-4-7-12(17)9(10)2/h4,6-7,11,13,17H,3,5,8H2,1-2H3,(H,19,20)
InChIKeyFWNRTIGKZNFBTF-UHFFFAOYSA-N
XLogP2.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 82810538) is 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1cccc(O)c1C.
What is the InChIKey of 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FWNRTIGKZNFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-3-5-13-16(11(8-21-13)15(19)20)14(18)10-6-4-7-12(17)9(10)2/h4,6-7,11,13,17H,3,5,8H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 82810538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).