1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one

C25H24ClFN6O2S — CID 50941870

IUPAC1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(N)nc3sc(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H24ClFN6O2S/c1-25(2,35-18-9-5-16(26)6-10-18)23(34)33-13-11-32(12-14-33)20-19-22(31-24(28)30-20)36-21(29-19)15-3-7-17(27)8-4-15/h3-10H,11-14H2,1-2H3,(H2,28,30,31)
InChIKeyZFJMLJXZMDIEJI-UHFFFAOYSA-N
MW527.03 g/mol
LogP4.63
Rot. Bonds5

About 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one

1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one (PubChem CID 50941870) has the molecular formula C25H24ClFN6O2S and a molecular weight of 527.03 g/mol. Its IUPAC name is 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one
PubChem CID50941870
Molecular FormulaC25H24ClFN6O2S
Molecular Weight527.03 g/mol
Exact Mass526.14
IUPAC Name1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(N)nc3sc(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H24ClFN6O2S/c1-25(2,35-18-9-5-16(26)6-10-18)23(34)33-13-11-32(12-14-33)20-19-22(31-24(28)30-20)36-21(29-19)15-3-7-17(27)8-4-15/h3-10H,11-14H2,1-2H3,(H2,28,30,31)
InChIKeyZFJMLJXZMDIEJI-UHFFFAOYSA-N
XLogP4.63
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.03
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one with MolForge

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Related Compounds

1-[4-(2-Aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46231725
1-[4-(5-Amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46894120
1-(4-(5-Amino-2-(4-fluorophenyl)thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 46916476
1-[4-[5-Amino-2-[(4-fluorophenyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46916477
1-[4-[5-Amino-2-(4-chlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46916667
2-amino-6-[4-(4-chlorophenoxyacetyl)piperazin-1-yl]-8-(4-fluorophenyl)-9H-purine
CID 50941661
1-[4-[2-Amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 50941667
5-Amino-2-(4-fluorophenyl)-7-(4-(2-phenoxyacetyl)-piperazin-1-yl)-thiazolo[5,4-d]pyrimidine
CID 50941963
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 50941964
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-bromophenoxy)ethanone
CID 50941965
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 50941966
1-(4-(5-Amino-2-(3-(4-fluorophenyl)propyl)thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 50942150

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one (CID 50941870) is 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(N)nc3sc(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one?
The InChIKey is ZFJMLJXZMDIEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O2S/c1-25(2,35-18-9-5-16(26)6-10-18)23(34)33-13-11-32(12-14-33)20-19-22(31-24(28)30-20)36-21(29-19)15-3-7-17(27)8-4-15/h3-10H,11-14H2,1-2H3,(H2,28,30,31).
What are the key properties of 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one?
1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one has a molecular weight of 527.03 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-chlorophenoxy)-2-methylpropan-1-one is sourced from PubChem (CID 50941870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).