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

C15H15ClN6S — CID 50942055

IUPAC2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESNc1nc(N2CCNCC2)c2nc(-c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C15H15ClN6S/c16-10-3-1-9(2-4-10)13-19-11-12(22-7-5-18-6-8-22)20-15(17)21-14(11)23-13/h1-4,18H,5-8H2,(H2,17,20,21)
InChIKeySSBDHFUDPFLFSS-UHFFFAOYSA-N
MW346.85 g/mol
LogP2.40
Rot. Bonds2

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

2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 50942055) has the molecular formula C15H15ClN6S and a molecular weight of 346.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
PubChem CID50942055
Molecular FormulaC15H15ClN6S
Molecular Weight346.85 g/mol
Exact Mass346.08
IUPAC Name2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
SMILESNc1nc(N2CCNCC2)c2nc(-c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C15H15ClN6S/c16-10-3-1-9(2-4-10)13-19-11-12(22-7-5-18-6-8-22)20-15(17)21-14(11)23-13/h1-4,18H,5-8H2,(H2,17,20,21)
InChIKeySSBDHFUDPFLFSS-UHFFFAOYSA-N
XLogP2.40
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.85
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 50942055) is 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is Nc1nc(N2CCNCC2)c2nc(-c3ccc(Cl)cc3)sc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is SSBDHFUDPFLFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6S/c16-10-3-1-9(2-4-10)13-19-11-12(22-7-5-18-6-8-22)20-15(17)21-14(11)23-13/h1-4,18H,5-8H2,(H2,17,20,21).
What are the key properties of 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?
2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 346.85 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 50942055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).