2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

C80H61ClFN29S7 — CID 157224687

About 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine

2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 157224687) has the molecular formula C80H61ClFN29S7 and a molecular weight of 1707.49 g/mol. Its IUPAC name is 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 157224687
• Molecular Formula: C80H61ClFN29S7
• Molecular Weight: 1707.49 g/mol
• Exact Mass: 1705.34
• IUPAC Name: 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
• SMILES: Cc1cnc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)s1.Clc1ccc(-c2csc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)n2)cc1.Cn1nc(C(C)(C)C)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Fc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1
• InChI: InChI=1S/C22H14ClN7S2.C21H22N8S.C20H12FN7S2.C17H13N7S2/c23-14-3-1-12(2-4-14)18-11-32-22(27-18)29-21-26-17-7-8-31-19(17)20(28-21)25-15-5-6-16-13(9-15)10-24-30-16;1-21(2,3)16-10-17(29(4)28-16)25-20-24-15-7-8-30-18(15)19(26-20)23-13-5-6-14-12(9-13)11-22-27-14;21-11-1-3-14-16(8-11)30-20(25-14)27-19-24-15-5-6-29-17(15)18(26-19)23-12-2-4-13-10(7-12)9-22-28-13;1-9-7-18-17(26-9)23-16-21-13-4-5-25-14(13)15(22-16)20-11-2-3-12-10(6-11)8-19-24-12/h1-11H,(H,24,30)(H2,25,26,27,28,29);5-11H,1-4H3,(H,22,27)(H2,23,24,25,26);1-9H,(H,22,28)(H2,23,24,25,26,27);2-8H,1H3,(H,19,24)(H2,18,20,21,22,23)
• InChIKey: ATKFWOCBYYMYRH-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 370.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1707.49
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 157224687) is 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is Cc1cnc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)s1.Clc1ccc(-c2csc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)n2)cc1.Cn1nc(C(C)(C)C)cc1Nc1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.Fc1ccc2nc(Nc3nc(Nc4ccc5[nH]ncc5c4)c4sccc4n3)sc2c1.

What is the InChIKey of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is ATKFWOCBYYMYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN7S2.C21H22N8S.C20H12FN7S2.C17H13N7S2/c23-14-3-1-12(2-4-14)18-11-32-22(27-18)29-21-26-17-7-8-31-19(17)20(28-21)25-15-5-6-16-13(9-15)10-24-30-16;1-21(2,3)16-10-17(29(4)28-16)25-20-24-15-7-8-30-18(15)19(26-20)23-13-5-6-14-12(9-13)11-22-27-14;21-11-1-3-14-16(8-11)30-20(25-14)27-19-24-15-5-6-29-17(15)18(26-19)23-12-2-4-13-10(7-12)9-22-28-13;1-9-7-18-17(26-9)23-16-21-13-4-5-25-14(13)15(22-16)20-11-2-3-12-10(6-11)8-19-24-12/h1-11H,(H,24,30)(H2,25,26,27,28,29);5-11H,1-4H3,(H,22,27)(H2,23,24,25,26);1-9H,(H,22,28)(H2,23,24,25,26,27);2-8H,1H3,(H,19,24)(H2,18,20,21,22,23).

What are the key properties of 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine?

2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1707.49 g/mol, XLogP of 22.54, 17 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 157224687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).