5-iodo-2-(trifluoromethyl)-1,3-thiazole

C4HF3INS — CID 143750797

IUPAC5-iodo-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(I)s1
InChIInChI=1S/C4HF3INS/c5-4(6,7)3-9-1-2(8)10-3/h1H
InChIKeyWBQFTQKFZGMMFT-UHFFFAOYSA-N
MW279.02 g/mol
LogP2.77
Rot. Bonds

About 5-iodo-2-(trifluoromethyl)-1,3-thiazole

5-iodo-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 143750797) has the molecular formula C4HF3INS and a molecular weight of 279.02 g/mol. Its IUPAC name is 5-iodo-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-iodo-2-(trifluoromethyl)-1,3-thiazole
PubChem CID143750797
Molecular FormulaC4HF3INS
Molecular Weight279.02 g/mol
Exact Mass278.88
IUPAC Name5-iodo-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(I)s1
InChIInChI=1S/C4HF3INS/c5-4(6,7)3-9-1-2(8)10-3/h1H
InChIKeyWBQFTQKFZGMMFT-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.02
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-iodo-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-iodo-2-(trifluoromethyl)-1,3-thiazole (CID 143750797) is 5-iodo-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-iodo-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-iodo-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(I)s1.
What is the InChIKey of 5-iodo-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WBQFTQKFZGMMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3INS/c5-4(6,7)3-9-1-2(8)10-3/h1H.
What are the key properties of 5-iodo-2-(trifluoromethyl)-1,3-thiazole?
5-iodo-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 279.02 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 143750797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).