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

C15H17NO4S — CID 63781785

IUPAC2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(C(=O)N2C(C(=O)O)CSC2C2CC2)c1O
InChIInChI=1S/C15H17NO4S/c1-8-3-2-4-10(12(8)17)13(18)16-11(15(19)20)7-21-14(16)9-5-6-9/h2-4,9,11,14,17H,5-7H2,1H3,(H,19,20)
InChIKeyREKJBRNABMNVNI-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.08
Rot. Bonds3

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

2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781785) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781785
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(C(=O)N2C(C(=O)O)CSC2C2CC2)c1O
InChIInChI=1S/C15H17NO4S/c1-8-3-2-4-10(12(8)17)13(18)16-11(15(19)20)7-21-14(16)9-5-6-9/h2-4,9,11,14,17H,5-7H2,1H3,(H,19,20)
InChIKeyREKJBRNABMNVNI-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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Related Compounds

2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780905
2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780524
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781272
3-(2-chloro-5-hydroxybenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 106500299
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 63764476
3-(6-chloropyridine-2-carbonyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63779841
2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116827
N,2-dicyclohexyl-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744161
3-(2-methylbenzoyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729234
2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779843
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
2-cyclopropyl-3-(3-thiophen-2-ylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781077

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63781785) is 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is Cc1cccc(C(=O)N2C(C(=O)O)CSC2C2CC2)c1O.
What is the InChIKey of 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is REKJBRNABMNVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-8-3-2-4-10(12(8)17)13(18)16-11(15(19)20)7-21-14(16)9-5-6-9/h2-4,9,11,14,17H,5-7H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-hydroxy-3-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-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).