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

C19H22FN5OS — CID 53197263

IUPAC1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5OS/c1-3-4-16(26)23-9-11-24(12-10-23)19-21-18-17(27-19)13(2)22-25(18)15-7-5-14(20)6-8-15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyXCWQNVXDFHGCGU-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.38
Rot. Bonds4

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

1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one (PubChem CID 53197263) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one
PubChem CID53197263
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Name1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22FN5OS/c1-3-4-16(26)23-9-11-24(12-10-23)19-21-18-17(27-19)13(2)22-25(18)15-7-5-14(20)6-8-15/h5-8H,3-4,9-12H2,1-2H3
InChIKeyXCWQNVXDFHGCGU-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.38
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]butan-1-one?
The IUPAC name of 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one (CID 53197263) is 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-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]butan-1-one?
The canonical SMILES for 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one is CCCC(=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]butan-1-one?
The InChIKey is XCWQNVXDFHGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-3-4-16(26)23-9-11-24(12-10-23)19-21-18-17(27-19)13(2)22-25(18)15-7-5-14(20)6-8-15/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one?
1-[4-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperazin-1-yl]butan-1-one has a molecular weight of 387.48 g/mol, XLogP of 3.38, 4 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]butan-1-one is sourced from PubChem (CID 53197263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).