5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide

C48H50BClN10O10S2 — CID 162089183

About 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide

5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide (PubChem CID 162089183) has the molecular formula C48H50BClN10O10S2 and a molecular weight of 1037.39 g/mol. Its IUPAC name is 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide
• PubChem CID: 162089183
• Molecular Formula: C48H50BClN10O10S2
• Molecular Weight: 1037.39 g/mol
• Exact Mass: 1036.29
• IUPAC Name: 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide
• SMILES: CC1(C)OB(c2cccc(C(N)=O)c2)OC1(C)C.COc1cc(Nc2nc(-c3cccc(C(N)=O)c3)nc3scnc23)cc(OC)c1OC.COc1cc(Nc2nc(Cl)nc3scnc23)cc(OC)c1OC
• InChI: InChI=1S/C21H19N5O4S.C14H13ClN4O3S.C13H18BNO3/c1-28-14-8-13(9-15(29-2)17(14)30-3)24-20-16-21(31-10-23-16)26-19(25-20)12-6-4-5-11(7-12)18(22)27;1-20-8-4-7(5-9(21-2)11(8)22-3)17-12-10-13(23-6-16-10)19-14(15)18-12;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h4-10H,1-3H3,(H2,22,27)(H,24,25,26);4-6H,1-3H3,(H,17,18,19);5-8H,1-4H3,(H2,15,16)
• InChIKey: ZDJHEFDTJSUEAK-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 261.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.39
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide?

The IUPAC name of 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide (CID 162089183) is 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide.

What is the SMILES notation for 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide?

The canonical SMILES for 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide is CC1(C)OB(c2cccc(C(N)=O)c2)OC1(C)C.COc1cc(Nc2nc(-c3cccc(C(N)=O)c3)nc3scnc23)cc(OC)c1OC.COc1cc(Nc2nc(Cl)nc3scnc23)cc(OC)c1OC.

What is the InChIKey of 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide?

The InChIKey is ZDJHEFDTJSUEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S.C14H13ClN4O3S.C13H18BNO3/c1-28-14-8-13(9-15(29-2)17(14)30-3)24-20-16-21(31-10-23-16)26-19(25-20)12-6-4-5-11(7-12)18(22)27;1-20-8-4-7(5-9(21-2)11(8)22-3)17-12-10-13(23-6-16-10)19-14(15)18-12;1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h4-10H,1-3H3,(H2,22,27)(H,24,25,26);4-6H,1-3H3,(H,17,18,19);5-8H,1-4H3,(H2,15,16).

What are the key properties of 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide?

5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide has a molecular weight of 1037.39 g/mol, XLogP of 8.22, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;3-[7-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 162089183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).