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

C15H15FN6S — CID 53323334

IUPAC7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c2sc(N3CCNCC3)nc2n1
InChIInChI=1S/C15H15FN6S/c16-10-3-1-9(2-4-10)11-12-13(20-14(17)19-11)21-15(23-12)22-7-5-18-6-8-22/h1-4,18H,5-8H2,(H2,17,19,20)
InChIKeyCWGSUVMGOLHGQB-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.88
Rot. Bonds2

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

7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine (PubChem CID 53323334) has the molecular formula C15H15FN6S and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
PubChem CID53323334
Molecular FormulaC15H15FN6S
Molecular Weight330.39 g/mol
Exact Mass330.11
IUPAC Name7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c2sc(N3CCNCC3)nc2n1
InChIInChI=1S/C15H15FN6S/c16-10-3-1-9(2-4-10)11-12-13(20-14(17)19-11)21-15(23-12)22-7-5-18-6-8-22/h1-4,18H,5-8H2,(H2,17,19,20)
InChIKeyCWGSUVMGOLHGQB-UHFFFAOYSA-N
XLogP1.88
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine (CID 53323334) is 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2ccc(F)cc2)c2sc(N3CCNCC3)nc2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is CWGSUVMGOLHGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6S/c16-10-3-1-9(2-4-10)11-12-13(20-14(17)19-11)21-15(23-12)22-7-5-18-6-8-22/h1-4,18H,5-8H2,(H2,17,19,20).
What are the key properties of 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine?
7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 330.39 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 53323334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).