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

C14H14INO3S — CID 63780905

IUPAC2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1ccccc1I
InChIInChI=1S/C14H14INO3S/c15-10-4-2-1-3-9(10)12(17)16-11(14(18)19)7-20-13(16)8-5-6-8/h1-4,8,11,13H,5-7H2,(H,18,19)
InChIKeyGRVUHPZIBLVILJ-UHFFFAOYSA-N
MW403.24 g/mol
LogP2.67
Rot. Bonds3

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

2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780905) has the molecular formula C14H14INO3S and a molecular weight of 403.24 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780905
Molecular FormulaC14H14INO3S
Molecular Weight403.24 g/mol
Exact Mass402.97
IUPAC Name2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1ccccc1I
InChIInChI=1S/C14H14INO3S/c15-10-4-2-1-3-9(10)12(17)16-11(14(18)19)7-20-13(16)8-5-6-8/h1-4,8,11,13H,5-7H2,(H,18,19)
InChIKeyGRVUHPZIBLVILJ-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-(2-hydroxy-3-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781785
3-(2-chloro-5-hydroxybenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 106500299
2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779843
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-(6-chloropyridine-2-carbonyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63779841
2-cyclohexyl-3-(2,4-dichlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728688
2-cyclopropyl-3-(1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 103116827
2-cyclopropyl-3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781983
2-cyclopropyl-3-(2,3-dihydro-1,4-dioxine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55236298
2-cyclopropyl-3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780216
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780905) is 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)c1ccccc1I.
What is the InChIKey of 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GRVUHPZIBLVILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO3S/c15-10-4-2-1-3-9(10)12(17)16-11(14(18)19)7-20-13(16)8-5-6-8/h1-4,8,11,13H,5-7H2,(H,18,19).
What are the key properties of 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 403.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-iodobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).