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

C29H30ClN13S2 — CID 67133667

About 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;7-piperazin-1-yl-2-pyridin-4-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;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (PubChem CID 67133667) has the molecular formula C29H30ClN13S2 and a molecular weight of 660.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
• PubChem CID: 67133667
• Molecular Formula: C29H30ClN13S2
• Molecular Weight: 660.24 g/mol
• Exact Mass: 659.19
• IUPAC Name: 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
• SMILES: Nc1nc(N2CCNCC2)c2nc(-c3ccc(Cl)cc3)sc2n1.Nc1nc(N2CCNCC2)c2nc(-c3ccncc3)sc2n1
• InChI: InChI=1S/C15H15ClN6S.C14H15N7S/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;15-14-19-11(21-7-5-17-6-8-21)10-13(20-14)22-12(18-10)9-1-3-16-4-2-9/h1-4,18H,5-8H2,(H2,17,20,21);1-4,17H,5-8H2,(H2,15,19,20)
• InChIKey: UHQXOSSOLJTHDI-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 172.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.24
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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;7-piperazin-1-yl-2-pyridin-4-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;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine (CID 67133667) is 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;7-piperazin-1-yl-2-pyridin-4-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;7-piperazin-1-yl-2-pyridin-4-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;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is Nc1nc(N2CCNCC2)c2nc(-c3ccc(Cl)cc3)sc2n1.Nc1nc(N2CCNCC2)c2nc(-c3ccncc3)sc2n1.

What is the InChIKey of 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine?

The InChIKey is UHQXOSSOLJTHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6S.C14H15N7S/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;15-14-19-11(21-7-5-17-6-8-21)10-13(20-14)22-12(18-10)9-1-3-16-4-2-9/h1-4,18H,5-8H2,(H2,17,20,21);1-4,17H,5-8H2,(H2,15,19,20).

What are the key properties of 2-(4-chlorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine;7-piperazin-1-yl-2-pyridin-4-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;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 660.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 4 hydrogen bond donors, and 15 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;7-piperazin-1-yl-2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 67133667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).