6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole

C11H9FN2S — CID 89487733

IUPAC6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole
SMILESFc1ccc(-c2cc3n(n2)CCS3)cc1
InChIInChI=1S/C11H9FN2S/c12-9-3-1-8(2-4-9)10-7-11-14(13-10)5-6-15-11/h1-4,7H,5-6H2
InChIKeyFBQQGPFBLVBKSR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.79
Rot. Bonds1

About 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole

6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole (PubChem CID 89487733) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole
PubChem CID89487733
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole
SMILESFc1ccc(-c2cc3n(n2)CCS3)cc1
InChIInChI=1S/C11H9FN2S/c12-9-3-1-8(2-4-9)10-7-11-14(13-10)5-6-15-11/h1-4,7H,5-6H2
InChIKeyFBQQGPFBLVBKSR-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole (CID 89487733) is 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole is Fc1ccc(-c2cc3n(n2)CCS3)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole?
The InChIKey is FBQQGPFBLVBKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c12-9-3-1-8(2-4-9)10-7-11-14(13-10)5-6-15-11/h1-4,7H,5-6H2.
What are the key properties of 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole?
6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole has a molecular weight of 220.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 89487733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).