2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole

C9H10F2INS — CID 167048182

IUPAC2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1c2nc(C(F)F)sc2CC1(C)I
InChIInChI=1S/C9H10F2INS/c1-4-6-5(3-9(4,2)12)14-8(13-6)7(10)11/h4,7H,3H2,1-2H3
InChIKeyHATRNZVQALUREE-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.93
Rot. Bonds1

About 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole

2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole (PubChem CID 167048182) has the molecular formula C9H10F2INS and a molecular weight of 329.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
PubChem CID167048182
Molecular FormulaC9H10F2INS
Molecular Weight329.15 g/mol
Exact Mass328.95
IUPAC Name2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1c2nc(C(F)F)sc2CC1(C)I
InChIInChI=1S/C9H10F2INS/c1-4-6-5(3-9(4,2)12)14-8(13-6)7(10)11/h4,7H,3H2,1-2H3
InChIKeyHATRNZVQALUREE-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The IUPAC name of 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole (CID 167048182) is 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole is CC1c2nc(C(F)F)sc2CC1(C)I.
What is the InChIKey of 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The InChIKey is HATRNZVQALUREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2INS/c1-4-6-5(3-9(4,2)12)14-8(13-6)7(10)11/h4,7H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole has a molecular weight of 329.15 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole is sourced from PubChem (CID 167048182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).