4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one

C17H18FN5OS — CID 72898790

IUPAC4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCc1nn(C)c2nc(N3CCN(Cc4ccc(F)cc4)C(=O)C3)sc12
InChIInChI=1S/C17H18FN5OS/c1-11-15-16(21(2)20-11)19-17(25-15)23-8-7-22(14(24)10-23)9-12-3-5-13(18)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyYBFKGLGAUOPFHU-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.33
Rot. Bonds3

About 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one

4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one (PubChem CID 72898790) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one
PubChem CID72898790
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one
SMILESCc1nn(C)c2nc(N3CCN(Cc4ccc(F)cc4)C(=O)C3)sc12
InChIInChI=1S/C17H18FN5OS/c1-11-15-16(21(2)20-11)19-17(25-15)23-8-7-22(14(24)10-23)9-12-3-5-13(18)6-4-12/h3-6H,7-10H2,1-2H3
InChIKeyYBFKGLGAUOPFHU-UHFFFAOYSA-N
XLogP2.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one (CID 72898790) is 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one is Cc1nn(C)c2nc(N3CCN(Cc4ccc(F)cc4)C(=O)C3)sc12.
What is the InChIKey of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is YBFKGLGAUOPFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c1-11-15-16(21(2)20-11)19-17(25-15)23-8-7-22(14(24)10-23)9-12-3-5-13(18)6-4-12/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one?
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 359.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 72898790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).