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

C6H3F3INS — CID 130874769

IUPAC4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1nc(I)sc1C(F)(F)F
InChIInChI=1S/C6H3F3INS/c1-2-3-4(6(7,8)9)12-5(10)11-3/h2H,1H2
InChIKeySXEXODUMFUGTMR-UHFFFAOYSA-N
MW305.06 g/mol
LogP3.41
Rot. Bonds1

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

4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 130874769) has the molecular formula C6H3F3INS and a molecular weight of 305.06 g/mol. Its IUPAC name is 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole
PubChem CID130874769
Molecular FormulaC6H3F3INS
Molecular Weight305.06 g/mol
Exact Mass304.90
IUPAC Name4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole
SMILESC=Cc1nc(I)sc1C(F)(F)F
InChIInChI=1S/C6H3F3INS/c1-2-3-4(6(7,8)9)12-5(10)11-3/h2H,1H2
InChIKeySXEXODUMFUGTMR-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.06
LogP ≤ 53.41
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 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole (CID 130874769) is 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole is C=Cc1nc(I)sc1C(F)(F)F.
What is the InChIKey of 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is SXEXODUMFUGTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INS/c1-2-3-4(6(7,8)9)12-5(10)11-3/h2H,1H2.
What are the key properties of 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole?
4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 305.06 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-iodo-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 130874769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).