5-iodosulfanyl-1,3-thiazole-4-carboxylic acid

C4H2INO2S2 — CID 155208490

IUPAC5-iodosulfanyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1SI
InChIInChI=1S/C4H2INO2S2/c5-10-4-2(3(7)8)6-1-9-4/h1H,(H,7,8)
InChIKeyQEZFUGXNTQMBTN-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.28
Rot. Bonds2

About 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid

5-iodosulfanyl-1,3-thiazole-4-carboxylic acid (PubChem CID 155208490) has the molecular formula C4H2INO2S2 and a molecular weight of 287.10 g/mol. Its IUPAC name is 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-iodosulfanyl-1,3-thiazole-4-carboxylic acid
PubChem CID155208490
Molecular FormulaC4H2INO2S2
Molecular Weight287.10 g/mol
Exact Mass286.86
IUPAC Name5-iodosulfanyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1SI
InChIInChI=1S/C4H2INO2S2/c5-10-4-2(3(7)8)6-1-9-4/h1H,(H,7,8)
InChIKeyQEZFUGXNTQMBTN-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-iodosulfanyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid (CID 155208490) is 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1SI.
What is the InChIKey of 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is QEZFUGXNTQMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2INO2S2/c5-10-4-2(3(7)8)6-1-9-4/h1H,(H,7,8).
What are the key properties of 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid?
5-iodosulfanyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 287.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodosulfanyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 155208490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).