4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

C15H10F3N3O2S — CID 2525060

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)13-3-4-19-21(13)14-20-10(8-24-14)9-1-2-11-12(7-9)23-6-5-22-11/h1-4,7-8H,5-6H2
InChIKeyWNDKUPIDAQVOFK-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.79
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (PubChem CID 2525060) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
PubChem CID2525060
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccnn1-c1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C15H10F3N3O2S/c16-15(17,18)13-3-4-19-21(13)14-20-10(8-24-14)9-1-2-11-12(7-9)23-6-5-22-11/h1-4,7-8H,5-6H2
InChIKeyWNDKUPIDAQVOFK-UHFFFAOYSA-N
XLogP3.79
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole (CID 2525060) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is FC(F)(F)c1ccnn1-c1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
The InChIKey is WNDKUPIDAQVOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c16-15(17,18)13-3-4-19-21(13)14-20-10(8-24-14)9-1-2-11-12(7-9)23-6-5-22-11/h1-4,7-8H,5-6H2.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole has a molecular weight of 353.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole is sourced from PubChem (CID 2525060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).