7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

C21H19FN6O2S2 — CID 46916427

IUPAC7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESNc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C21H19FN6O2S2/c22-15-8-6-14(7-9-15)19-24-17-18(25-21(23)26-20(17)31-19)27-10-12-28(13-11-27)32(29,30)16-4-2-1-3-5-16/h1-9H,10-13H2,(H2,23,25,26)
InChIKeyYHSAVZQAAIOMFG-UHFFFAOYSA-N
MW470.56 g/mol
LogP2.99
Rot. Bonds4

About 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine

7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 46916427) has the molecular formula C21H19FN6O2S2 and a molecular weight of 470.56 g/mol. Its IUPAC name is 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID46916427
Molecular FormulaC21H19FN6O2S2
Molecular Weight470.56 g/mol
Exact Mass470.10
IUPAC Name7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESNc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C21H19FN6O2S2/c22-15-8-6-14(7-9-15)19-24-17-18(25-21(23)26-20(17)31-19)27-10-12-28(13-11-27)32(29,30)16-4-2-1-3-5-16/h1-9H,10-13H2,(H2,23,25,26)
InChIKeyYHSAVZQAAIOMFG-UHFFFAOYSA-N
XLogP2.99
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 46916427) is 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is Nc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1.
What is the InChIKey of 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is YHSAVZQAAIOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2S2/c22-15-8-6-14(7-9-15)19-24-17-18(25-21(23)26-20(17)31-19)27-10-12-28(13-11-27)32(29,30)16-4-2-1-3-5-16/h1-9H,10-13H2,(H2,23,25,26).
What are the key properties of 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 470.56 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 46916427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).