2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone

C24H21ClFN5O2S — CID 46916478

IUPAC2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone
SMILESCc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C24H21ClFN5O2S/c1-15-27-22(21-24(28-15)34-23(29-21)16-2-6-18(26)7-3-16)31-12-10-30(11-13-31)20(32)14-33-19-8-4-17(25)5-9-19/h2-9H,10-14H2,1H3
InChIKeyDGHLAFBJSWAJIZ-UHFFFAOYSA-N
MW497.98 g/mol
LogP4.58
Rot. Bonds5

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

2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone (PubChem CID 46916478) has the molecular formula C24H21ClFN5O2S and a molecular weight of 497.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone
PubChem CID46916478
Molecular FormulaC24H21ClFN5O2S
Molecular Weight497.98 g/mol
Exact Mass497.11
IUPAC Name2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone
SMILESCc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C24H21ClFN5O2S/c1-15-27-22(21-24(28-15)34-23(29-21)16-2-6-18(26)7-3-16)31-12-10-30(11-13-31)20(32)14-33-19-8-4-17(25)5-9-19/h2-9H,10-14H2,1H3
InChIKeyDGHLAFBJSWAJIZ-UHFFFAOYSA-N
XLogP4.58
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone (CID 46916478) is 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone is Cc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone?
The InChIKey is DGHLAFBJSWAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2S/c1-15-27-22(21-24(28-15)34-23(29-21)16-2-6-18(26)7-3-16)31-12-10-30(11-13-31)20(32)14-33-19-8-4-17(25)5-9-19/h2-9H,10-14H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone has a molecular weight of 497.98 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[2-(4-fluorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 46916478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).