4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

C74H77N23O8S7 — CID 158855604

About 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone

4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (PubChem CID 158855604) has the molecular formula C74H77N23O8S7 and a molecular weight of 1641.05 g/mol. Its IUPAC name is 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
• PubChem CID: 158855604
• Molecular Formula: C74H77N23O8S7
• Molecular Weight: 1641.05 g/mol
• Exact Mass: 1639.44
• IUPAC Name: 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
• SMILES: C#Cc1cccc(-c2nc(N)c3cc(C(=O)N4CCN(C(C)(C)C)CC4)sc3n2)c1.Cc1csc(-c2nc(N)c3cc(C(=O)N4CCN(c5ccncc5)CC4)sc3n2)n1.Cc1csc(-c2nc(N)c3cc(C(=O)NCCN4CCS(=O)(=O)CC4)sc3n2)n1.Nc1nc(-c2ncco2)nc2sc(C(=O)N3CCOCC3)cc12
• InChI: InChI=1S/C23H25N5OS.C20H19N7OS2.C17H20N6O3S3.C14H13N5O3S/c1-5-15-7-6-8-16(13-15)20-25-19(24)17-14-18(30-21(17)26-20)22(29)27-9-11-28(12-10-27)23(2,3)4;1-12-11-29-19(23-12)17-24-16(21)14-10-15(30-18(14)25-17)20(28)27-8-6-26(7-9-27)13-2-4-22-5-3-13;1-10-9-27-17(20-10)14-21-13(18)11-8-12(28-16(11)22-14)15(24)19-2-3-23-4-6-29(25,26)7-5-23;15-10-8-7-9(14(20)19-2-5-21-6-3-19)23-13(8)18-11(17-10)12-16-1-4-22-12/h1,6-8,13-14H,9-12H2,2-4H3,(H2,24,25,26);2-5,10-11H,6-9H2,1H3,(H2,21,24,25);8-9H,2-7H2,1H3,(H,19,24)(H2,18,21,22);1,4,7H,2-3,5-6H2,(H2,15,17,18)
• InChIKey: IZZWQNJFERRQRO-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 415.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1641.05
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?

The IUPAC name of 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone (CID 158855604) is 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?

The canonical SMILES for 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is C#Cc1cccc(-c2nc(N)c3cc(C(=O)N4CCN(C(C)(C)C)CC4)sc3n2)c1.Cc1csc(-c2nc(N)c3cc(C(=O)N4CCN(c5ccncc5)CC4)sc3n2)n1.Cc1csc(-c2nc(N)c3cc(C(=O)NCCN4CCS(=O)(=O)CC4)sc3n2)n1.Nc1nc(-c2ncco2)nc2sc(C(=O)N3CCOCC3)cc12.

What is the InChIKey of 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?

The InChIKey is IZZWQNJFERRQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS.C20H19N7OS2.C17H20N6O3S3.C14H13N5O3S/c1-5-15-7-6-8-16(13-15)20-25-19(24)17-14-18(30-21(17)26-20)22(29)27-9-11-28(12-10-27)23(2,3)4;1-12-11-29-19(23-12)17-24-16(21)14-10-15(30-18(14)25-17)20(28)27-8-6-26(7-9-27)13-2-4-22-5-3-13;1-10-9-27-17(20-10)14-21-13(18)11-8-12(28-16(11)22-14)15(24)19-2-3-23-4-6-29(25,26)7-5-23;15-10-8-7-9(14(20)19-2-5-21-6-3-19)23-13(8)18-11(17-10)12-16-1-4-22-12/h1,6-8,13-14H,9-12H2,2-4H3,(H2,24,25,26);2-5,10-11H,6-9H2,1H3,(H2,21,24,25);8-9H,2-7H2,1H3,(H,19,24)(H2,18,21,22);1,4,7H,2-3,5-6H2,(H2,15,17,18).

What are the key properties of 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone?

4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 1641.05 g/mol, XLogP of 9.11, 12 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(3-ethynylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[4-amino-2-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158855604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).