2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole

C12H9F2NO2S — CID 143451926

IUPAC2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole
SMILESOOc1nc(C2CC2)sc1-c1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO2S/c13-7-3-4-8(9(14)5-7)10-11(17-16)15-12(18-10)6-1-2-6/h3-6,16H,1-2H2
InChIKeyFZNHTDFHSPJZBB-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.82
Rot. Bonds3

About 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole

2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole (PubChem CID 143451926) has the molecular formula C12H9F2NO2S and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole
PubChem CID143451926
Molecular FormulaC12H9F2NO2S
Molecular Weight269.27 g/mol
Exact Mass269.03
IUPAC Name2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole
SMILESOOc1nc(C2CC2)sc1-c1ccc(F)cc1F
InChIInChI=1S/C12H9F2NO2S/c13-7-3-4-8(9(14)5-7)10-11(17-16)15-12(18-10)6-1-2-6/h3-6,16H,1-2H2
InChIKeyFZNHTDFHSPJZBB-UHFFFAOYSA-N
XLogP3.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-5-(2,4-difluorophenyl)-1,3-thiazol-4-ol
CID 143452203
2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
2-(2,4-difluorophenyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 139479656
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
CID 62125233
[2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-1,3-thiazol-4-yl] acetate
CID 174625016
2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole
CID 58245762
5-[5-(2,4-difluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-1-(2-fluorophenyl)pyridin-2-one
CID 66670119
5-[5-(2,4-difluorophenyl)-2-(thian-4-yl)-1,3-thiazol-4-yl]-1-(4-fluoro-2,6-dimethylphenyl)pyridin-2-one
CID 67253836
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
CID 116965323
[(2S)-2-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]sulfamic acid
CID 156761954
2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine
CID 114058102
2-cyclopropyl-5-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole
CID 70261424

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole (CID 143451926) is 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole is OOc1nc(C2CC2)sc1-c1ccc(F)cc1F.
What is the InChIKey of 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole?
The InChIKey is FZNHTDFHSPJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO2S/c13-7-3-4-8(9(14)5-7)10-11(17-16)15-12(18-10)6-1-2-6/h3-6,16H,1-2H2.
What are the key properties of 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole?
2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole has a molecular weight of 269.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2,4-difluorophenyl)-4-hydroperoxy-1,3-thiazole is sourced from PubChem (CID 143451926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).