5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid

C4HClINO2S — CID 101194382

IUPAC5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(I)sc1Cl
InChIInChI=1S/C4HClINO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9)
InChIKeyOEFFFDDKXJHDQD-UHFFFAOYSA-N
MW289.48 g/mol
LogP2.10
Rot. Bonds1

About 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid

5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid (PubChem CID 101194382) has the molecular formula C4HClINO2S and a molecular weight of 289.48 g/mol. Its IUPAC name is 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid
PubChem CID101194382
Molecular FormulaC4HClINO2S
Molecular Weight289.48 g/mol
Exact Mass288.85
IUPAC Name5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(I)sc1Cl
InChIInChI=1S/C4HClINO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9)
InChIKeyOEFFFDDKXJHDQD-UHFFFAOYSA-N
XLogP2.10
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid (CID 101194382) is 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(I)sc1Cl.
What is the InChIKey of 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid?
The InChIKey is OEFFFDDKXJHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClINO2S/c5-2-1(3(8)9)7-4(6)10-2/h(H,8,9).
What are the key properties of 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid?
5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid has a molecular weight of 289.48 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 101194382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).