3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C14H16INO4S — CID 107731343

IUPAC3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cc(I)ccc1O
InChIInChI=1S/C14H16INO4S/c1-2-3-12-16(10(7-21-12)14(19)20)13(18)9-6-8(15)4-5-11(9)17/h4-6,10,12,17H,2-3,7H2,1H3,(H,19,20)
InChIKeyNQTNYSZTMVLUAJ-UHFFFAOYSA-N
MW421.26 g/mol
LogP2.77
Rot. Bonds4

About 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107731343) has the molecular formula C14H16INO4S and a molecular weight of 421.26 g/mol. Its IUPAC name is 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107731343
Molecular FormulaC14H16INO4S
Molecular Weight421.26 g/mol
Exact Mass420.98
IUPAC Name3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1cc(I)ccc1O
InChIInChI=1S/C14H16INO4S/c1-2-3-12-16(10(7-21-12)14(19)20)13(18)9-6-8(15)4-5-11(9)17/h4-6,10,12,17H,2-3,7H2,1H3,(H,19,20)
InChIKeyNQTNYSZTMVLUAJ-UHFFFAOYSA-N
XLogP2.77
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-2-methylbenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 82810538
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-(2-bromo-4-chlorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 107986700
3-(3,4-difluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791881
3-(3-fluoropyridine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64950865
3-(3-fluorobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790988
3-(3-methylfuran-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55237071
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
3-(3-chlorothiophene-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 80644761
3-(5-methylpyrazine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792058
3-(4-bromo-1-ethylpyrrole-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63793099
3-(6-chloropyridine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792745

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 107731343) is 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1cc(I)ccc1O.
What is the InChIKey of 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NQTNYSZTMVLUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO4S/c1-2-3-12-16(10(7-21-12)14(19)20)13(18)9-6-8(15)4-5-11(9)17/h4-6,10,12,17H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 421.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-iodobenzoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107731343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).