5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

C17H19FN4S — CID 72869662

IUPAC5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCCC3c3ccc(F)cc3)sc12
InChIInChI=1S/C17H19FN4S/c1-11-15-16(21(2)20-11)19-17(23-15)22-10-4-3-5-14(22)12-6-8-13(18)9-7-12/h6-9,14H,3-5,10H2,1-2H3
InChIKeyGBVWBVMJPNQIPS-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.21
Rot. Bonds2

About 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (PubChem CID 72869662) has the molecular formula C17H19FN4S and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
PubChem CID72869662
Molecular FormulaC17H19FN4S
Molecular Weight330.43 g/mol
Exact Mass330.13
IUPAC Name5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCCC3c3ccc(F)cc3)sc12
InChIInChI=1S/C17H19FN4S/c1-11-15-16(21(2)20-11)19-17(23-15)22-10-4-3-5-14(22)12-6-8-13(18)9-7-12/h6-9,14H,3-5,10H2,1-2H3
InChIKeyGBVWBVMJPNQIPS-UHFFFAOYSA-N
XLogP4.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (CID 72869662) is 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCCCC3c3ccc(F)cc3)sc12.
What is the InChIKey of 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The InChIKey is GBVWBVMJPNQIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4S/c1-11-15-16(21(2)20-11)19-17(23-15)22-10-4-3-5-14(22)12-6-8-13(18)9-7-12/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole has a molecular weight of 330.43 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72869662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).