2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

C97H75ClF7N25O7S7 — CID 160757454

About 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide

2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (PubChem CID 160757454) has the molecular formula C97H75ClF7N25O7S7 and a molecular weight of 2095.74 g/mol. Its IUPAC name is 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• PubChem CID: 160757454
• Molecular Formula: C97H75ClF7N25O7S7
• Molecular Weight: 2095.74 g/mol
• Exact Mass: 2093.39
• IUPAC Name: 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide
• SMILES: CCOc1cc(F)ccc1Nc1ncnc2ccsc12.COc1cc(F)ccc1Nc1ncnc2ccsc12.Fc1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1.Fc1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)cc1.NC(=O)c1ccc(Nc2ncnc3ccsc23)cc1Cl.c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
• InChI: InChI=1S/C16H14FN3O2S.C15H11F4N3OS.C14H12FN3OS.C13H9ClN4OS.C13H10FN3OS.C13H9N5S.C13H10N4OS/c17-10-1-2-12(14(7-10)22-11-3-5-21-8-11)20-16-15-13(4-6-23-15)18-9-19-16;16-9-1-2-10(12(7-9)23-5-4-15(17,18)19)22-14-13-11(3-6-24-13)20-8-21-14;1-2-19-12-7-9(15)3-4-10(12)18-14-13-11(5-6-20-13)16-8-17-14;14-9-5-7(1-2-8(9)12(15)19)18-13-11-10(3-4-20-11)16-6-17-13;1-18-11-6-8(14)2-3-9(11)17-13-12-10(4-5-19-12)15-7-16-13;1-2-10-8(6-16-18-10)5-9(1)17-13-12-11(3-4-19-12)14-7-15-13;14-12(18)8-1-3-9(4-2-8)17-13-11-10(5-6-19-11)15-7-16-13/h1-2,4,6-7,9,11H,3,5,8H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,20,21,22);3-8H,2H2,1H3,(H,16,17,18);1-6H,(H2,15,19)(H,16,17,18);2-7H,1H3,(H,15,16,17);1-7H,(H,16,18)(H,14,15,17);1-7H,(H2,14,18)(H,15,16,17)
• InChIKey: RXPRSFRJIGBAQU-UHFFFAOYSA-N
• XLogP: 25.23
• TPSA: 425.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2095.74
LogP ≤ 5	25.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The IUPAC name of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide (CID 160757454) is 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide.

What is the SMILES notation for 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The canonical SMILES for 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is CCOc1cc(F)ccc1Nc1ncnc2ccsc12.COc1cc(F)ccc1Nc1ncnc2ccsc12.Fc1ccc(Nc2ncnc3ccsc23)c(OC2CCOC2)c1.Fc1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.NC(=O)c1ccc(Nc2ncnc3ccsc23)cc1.NC(=O)c1ccc(Nc2ncnc3ccsc23)cc1Cl.c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1.

What is the InChIKey of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

The InChIKey is RXPRSFRJIGBAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S.C15H11F4N3OS.C14H12FN3OS.C13H9ClN4OS.C13H10FN3OS.C13H9N5S.C13H10N4OS/c17-10-1-2-12(14(7-10)22-11-3-5-21-8-11)20-16-15-13(4-6-23-15)18-9-19-16;16-9-1-2-10(12(7-9)23-5-4-15(17,18)19)22-14-13-11(3-6-24-13)20-8-21-14;1-2-19-12-7-9(15)3-4-10(12)18-14-13-11(5-6-20-13)16-8-17-14;14-9-5-7(1-2-8(9)12(15)19)18-13-11-10(3-4-20-11)16-6-17-13;1-18-11-6-8(14)2-3-9(11)17-13-12-10(4-5-19-12)15-7-16-13;1-2-10-8(6-16-18-10)5-9(1)17-13-12-11(3-4-19-12)14-7-15-13;14-12(18)8-1-3-9(4-2-8)17-13-11-10(5-6-19-11)15-7-16-13/h1-2,4,6-7,9,11H,3,5,8H2,(H,18,19,20);1-3,6-8H,4-5H2,(H,20,21,22);3-8H,2H2,1H3,(H,16,17,18);1-6H,(H2,15,19)(H,16,17,18);2-7H,1H3,(H,15,16,17);1-7H,(H,16,18)(H,14,15,17);1-7H,(H2,14,18)(H,15,16,17).

What are the key properties of 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide?

2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide has a molecular weight of 2095.74 g/mol, XLogP of 25.23, 24 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide;N-(2-ethoxy-4-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine;N-(4-fluoro-2-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine;N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine;4-(thieno[3,2-d]pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 160757454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).