2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C22H20ClFN8S2 — CID 146662599

About 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 146662599) has the molecular formula C22H20ClFN8S2 and a molecular weight of 515.04 g/mol. Its IUPAC name is 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• PubChem CID: 146662599
• Molecular Formula: C22H20ClFN8S2
• Molecular Weight: 515.04 g/mol
• Exact Mass: 514.09
• IUPAC Name: 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• SMILES: Cc1nc(-c2ccc(Cl)s2)c(CNCCc2nc3c(NCc4ncccc4F)ncnc3s2)[nH]1
• InChI: InChI=1S/C22H20ClFN8S2/c1-12-30-15(19(31-12)16-4-5-17(23)33-16)9-25-8-6-18-32-20-21(28-11-29-22(20)34-18)27-10-14-13(24)3-2-7-26-14/h2-5,7,11,25H,6,8-10H2,1H3,(H,30,31)(H,27,28,29)
• InChIKey: PMNXOPOCWXPTNR-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 104.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.04
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The IUPAC name of 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 146662599) is 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

What is the SMILES notation for 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The canonical SMILES for 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cc1nc(-c2ccc(Cl)s2)c(CNCCc2nc3c(NCc4ncccc4F)ncnc3s2)[nH]1.

What is the InChIKey of 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The InChIKey is PMNXOPOCWXPTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN8S2/c1-12-30-15(19(31-12)16-4-5-17(23)33-16)9-25-8-6-18-32-20-21(28-11-29-22(20)34-18)27-10-14-13(24)3-2-7-26-14/h2-5,7,11,25H,6,8-10H2,1H3,(H,30,31)(H,27,28,29).

What are the key properties of 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 515.04 g/mol, XLogP of 4.98, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-(5-chlorothiophen-2-yl)-2-methyl-1H-imidazol-5-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 146662599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).