5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole

C5H3F3INS — CID 142157971

IUPAC5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C5H3F3INS/c1-2-10-3(4(9)11-2)5(6,7)8/h1H3
InChIKeyCUELNKZVBUDFBH-UHFFFAOYSA-N
MW293.05 g/mol
LogP3.07
Rot. Bonds

About 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole

5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 142157971) has the molecular formula C5H3F3INS and a molecular weight of 293.05 g/mol. Its IUPAC name is 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID142157971
Molecular FormulaC5H3F3INS
Molecular Weight293.05 g/mol
Exact Mass292.90
IUPAC Name5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(I)s1
InChIInChI=1S/C5H3F3INS/c1-2-10-3(4(9)11-2)5(6,7)8/h1H3
InChIKeyCUELNKZVBUDFBH-UHFFFAOYSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.05
LogP ≤ 53.07
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-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 142157971) is 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(I)s1.
What is the InChIKey of 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CUELNKZVBUDFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3INS/c1-2-10-3(4(9)11-2)5(6,7)8/h1H3.
What are the key properties of 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 293.05 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 142157971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).