5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C10H5F3INS — CID 14601970

IUPAC5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2ncc(I)s2)cc1
InChIInChI=1S/C10H5F3INS/c11-10(12,13)7-3-1-6(2-4-7)9-15-5-8(14)16-9/h1-5H
InChIKeyXPJSQZFJTTUVFS-UHFFFAOYSA-N
MW355.12 g/mol
LogP4.43
Rot. Bonds1

About 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 14601970) has the molecular formula C10H5F3INS and a molecular weight of 355.12 g/mol. Its IUPAC name is 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID14601970
Molecular FormulaC10H5F3INS
Molecular Weight355.12 g/mol
Exact Mass354.91
IUPAC Name5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2ncc(I)s2)cc1
InChIInChI=1S/C10H5F3INS/c11-10(12,13)7-3-1-6(2-4-7)9-15-5-8(14)16-9/h1-5H
InChIKeyXPJSQZFJTTUVFS-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.12
LogP ≤ 54.43
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-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 14601970) is 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2ncc(I)s2)cc1.
What is the InChIKey of 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is XPJSQZFJTTUVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3INS/c11-10(12,13)7-3-1-6(2-4-7)9-15-5-8(14)16-9/h1-5H.
What are the key properties of 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 355.12 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 14601970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).