2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid

C15H17NO4S — CID 63780524

IUPAC2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(O)c(C(=O)N2C(C(=O)O)CSC2C2CC2)c1
InChIInChI=1S/C15H17NO4S/c1-8-2-5-12(17)10(6-8)13(18)16-11(15(19)20)7-21-14(16)9-3-4-9/h2,5-6,9,11,14,17H,3-4,7H2,1H3,(H,19,20)
InChIKeyDTYBWAOHFDLBMY-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.08
Rot. Bonds3

About 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780524) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780524
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(O)c(C(=O)N2C(C(=O)O)CSC2C2CC2)c1
InChIInChI=1S/C15H17NO4S/c1-8-2-5-12(17)10(6-8)13(18)16-11(15(19)20)7-21-14(16)9-3-4-9/h2,5-6,9,11,14,17H,3-4,7H2,1H3,(H,19,20)
InChIKeyDTYBWAOHFDLBMY-UHFFFAOYSA-N
XLogP2.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780524) is 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is Cc1ccc(O)c(C(=O)N2C(C(=O)O)CSC2C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DTYBWAOHFDLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-8-2-5-12(17)10(6-8)13(18)16-11(15(19)20)7-21-14(16)9-3-4-9/h2,5-6,9,11,14,17H,3-4,7H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).