1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one

C20H24FN5OS — CID 53197262

IUPAC1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN5OS/c1-3-4-5-17(27)24-10-12-25(13-11-24)20-22-19-18(28-20)14(2)23-26(19)16-8-6-15(21)7-9-16/h6-9H,3-5,10-13H2,1-2H3
InChIKeyBJJSRAWRNKYMNV-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.77
Rot. Bonds5

About 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one

1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one (PubChem CID 53197262) has the molecular formula C20H24FN5OS and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one
PubChem CID53197262
Molecular FormulaC20H24FN5OS
Molecular Weight401.51 g/mol
Exact Mass401.17
IUPAC Name1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN5OS/c1-3-4-5-17(27)24-10-12-25(13-11-24)20-22-19-18(28-20)14(2)23-26(19)16-8-6-15(21)7-9-16/h6-9H,3-5,10-13H2,1-2H3
InChIKeyBJJSRAWRNKYMNV-UHFFFAOYSA-N
XLogP3.77
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one (CID 53197262) is 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is BJJSRAWRNKYMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5OS/c1-3-4-5-17(27)24-10-12-25(13-11-24)20-22-19-18(28-20)14(2)23-26(19)16-8-6-15(21)7-9-16/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one?
1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 401.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 53197262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).