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

C15H17NO3S — CID 63781272

IUPAC2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2C(C(=O)O)CSC2C2CC2)cc1
InChIInChI=1S/C15H17NO3S/c1-9-2-4-10(5-3-9)13(17)16-12(15(18)19)8-20-14(16)11-6-7-11/h2-5,11-12,14H,6-8H2,1H3,(H,18,19)
InChIKeyLQYMGJGZBFMAMG-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.37
Rot. Bonds3

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

2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63781272) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63781272
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc(C(=O)N2C(C(=O)O)CSC2C2CC2)cc1
InChIInChI=1S/C15H17NO3S/c1-9-2-4-10(5-3-9)13(17)16-12(15(18)19)8-20-14(16)11-6-7-11/h2-5,11-12,14H,6-8H2,1H3,(H,18,19)
InChIKeyLQYMGJGZBFMAMG-UHFFFAOYSA-N
XLogP2.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-hydroxy-5-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780524
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688
2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
2-cyclopropyl-3-(1H-pyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55235907
2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116827
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780905
3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 107938010
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
3-(2-chloro-5-hydroxybenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 106500299
3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793205
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63781272) is 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is Cc1ccc(C(=O)N2C(C(=O)O)CSC2C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LQYMGJGZBFMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-9-2-4-10(5-3-9)13(17)16-12(15(18)19)8-20-14(16)11-6-7-11/h2-5,11-12,14H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63781272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).