N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C52H43FN18O6S8 — CID 87276218

About N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 87276218) has the molecular formula C52H43FN18O6S8 and a molecular weight of 1291.57 g/mol. Its IUPAC name is N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
• PubChem CID: 87276218
• Molecular Formula: C52H43FN18O6S8
• Molecular Weight: 1291.57 g/mol
• Exact Mass: 1290.14
• IUPAC Name: N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4nc5ccc(F)cc5s4)nc23)c1.CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4nn[nH]n4)nc23)c1.Cc1nc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)sc1C
• InChI: InChI=1S/C20H14FN5O2S3.C18H17N5O2S3.C14H12N8O2S2/c1-31(27,28)26-13-4-2-3-11(7-13)14-10-29-17-9-22-19(24-18(14)17)25-20-23-15-6-5-12(21)8-16(15)30-20;1-10-11(2)27-18(20-10)22-17-19-8-15-16(21-17)14(9-26-15)12-5-4-6-13(7-12)23-28(3,24)25;1-26(23,24)20-9-4-2-3-8(5-9)10-7-25-11-6-15-13(16-12(10)11)17-14-18-21-22-19-14/h2-10,26H,1H3,(H,22,23,24,25);4-9,23H,1-3H3,(H,19,20,21,22);2-7,20H,1H3,(H2,15,16,17,18,19,21,22)
• InChIKey: XCAFJHFIRLYLGN-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 332.18 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1291.57
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 87276218) is N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4nc5ccc(F)cc5s4)nc23)c1.CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4nn[nH]n4)nc23)c1.Cc1nc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)sc1C.

What is the InChIKey of N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?

The InChIKey is XCAFJHFIRLYLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2S3.C18H17N5O2S3.C14H12N8O2S2/c1-31(27,28)26-13-4-2-3-11(7-13)14-10-29-17-9-22-19(24-18(14)17)25-20-23-15-6-5-12(21)8-16(15)30-20;1-10-11(2)27-18(20-10)22-17-19-8-15-16(21-17)14(9-26-15)12-5-4-6-13(7-12)23-28(3,24)25;1-26(23,24)20-9-4-2-3-8(5-9)10-7-25-11-6-15-13(16-12(10)11)17-14-18-21-22-19-14/h2-10,26H,1H3,(H,22,23,24,25);4-9,23H,1-3H3,(H,19,20,21,22);2-7,20H,1H3,(H2,15,16,17,18,19,21,22).

What are the key properties of N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?

N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 1291.57 g/mol, XLogP of 11.76, 15 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 87276218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).