3-iodofuro[2,3-d][1,2]thiazole

C5H2INOS — CID 163729445

IUPAC3-iodofuro[2,3-d][1,2]thiazole
SMILESIc1nsc2ccoc12
InChIInChI=1S/C5H2INOS/c6-5-4-3(9-7-5)1-2-8-4/h1-2H
InChIKeyKYIGZDAHBKHSED-UHFFFAOYSA-N
MW251.05 g/mol
LogP2.49
Rot. Bonds

About 3-iodofuro[2,3-d][1,2]thiazole

3-iodofuro[2,3-d][1,2]thiazole (PubChem CID 163729445) has the molecular formula C5H2INOS and a molecular weight of 251.05 g/mol. Its IUPAC name is 3-iodofuro[2,3-d][1,2]thiazole.

Molecular Properties

Compound Name3-iodofuro[2,3-d][1,2]thiazole
PubChem CID163729445
Molecular FormulaC5H2INOS
Molecular Weight251.05 g/mol
Exact Mass250.89
IUPAC Name3-iodofuro[2,3-d][1,2]thiazole
SMILESIc1nsc2ccoc12
InChIInChI=1S/C5H2INOS/c6-5-4-3(9-7-5)1-2-8-4/h1-2H
InChIKeyKYIGZDAHBKHSED-UHFFFAOYSA-N
XLogP2.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.05
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 3-iodofuro[2,3-d][1,2]thiazole?
The IUPAC name of 3-iodofuro[2,3-d][1,2]thiazole (CID 163729445) is 3-iodofuro[2,3-d][1,2]thiazole.
What is the SMILES notation for 3-iodofuro[2,3-d][1,2]thiazole?
The canonical SMILES for 3-iodofuro[2,3-d][1,2]thiazole is Ic1nsc2ccoc12.
What is the InChIKey of 3-iodofuro[2,3-d][1,2]thiazole?
The InChIKey is KYIGZDAHBKHSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2INOS/c6-5-4-3(9-7-5)1-2-8-4/h1-2H.
What are the key properties of 3-iodofuro[2,3-d][1,2]thiazole?
3-iodofuro[2,3-d][1,2]thiazole has a molecular weight of 251.05 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodofuro[2,3-d][1,2]thiazole is sourced from PubChem (CID 163729445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).