2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid

C10H6INO2S — CID 169498406

IUPAC2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2I)n1
InChIInChI=1S/C10H6INO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyPVMCDEKYUIRPLW-UHFFFAOYSA-N
MW331.13 g/mol
LogP3.11
Rot. Bonds2

About 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid

2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 169498406) has the molecular formula C10H6INO2S and a molecular weight of 331.13 g/mol. Its IUPAC name is 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID169498406
Molecular FormulaC10H6INO2S
Molecular Weight331.13 g/mol
Exact Mass330.92
IUPAC Name2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2I)n1
InChIInChI=1S/C10H6INO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
InChIKeyPVMCDEKYUIRPLW-UHFFFAOYSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 53.11
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 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid (CID 169498406) is 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccccc2I)n1.
What is the InChIKey of 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PVMCDEKYUIRPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6INO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14).
What are the key properties of 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid?
2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 331.13 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 169498406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).