N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

C91H79Cl3F5N19O13S8 — CID 159646995

About N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 159646995) has the molecular formula C91H79Cl3F5N19O13S8 and a molecular weight of 2104.64 g/mol. Its IUPAC name is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
• PubChem CID: 159646995
• Molecular Formula: C91H79Cl3F5N19O13S8
• Molecular Weight: 2104.64 g/mol
• Exact Mass: 2101.29
• IUPAC Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
• SMILES: CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c(-c2ccncn2)s1.Nc1nccc(-c2sc(C3CCOCC3)nc2-c2cccc(NS(=O)(=O)c3ccoc3)c2Cl)n1.Nc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(CS(=O)(=O)c3cc(F)ccc3F)c2Cl)n1.Nc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(CS(=O)(=O)c3ccco3)c2Cl)n1
• InChI: InChI=1S/C24H20ClF2N5O3S2.C23H19F3N4O2S2.2C22H20ClN5O4S2/c25-20-14(13-37(33,34)19-12-15(26)4-5-17(19)27)2-1-3-16(20)21-22(18-6-7-29-23(28)30-18)36-24(31-21)32-8-10-35-11-9-32;1-23(2,3)22-29-20(21(33-22)17-9-10-27-12-28-17)14-5-4-6-16(19(14)26)30-34(31,32)18-11-13(24)7-8-15(18)25;23-18-14(13-34(29,30)17-5-2-10-32-17)3-1-4-15(18)19-20(16-6-7-25-21(24)26-16)33-22(27-19)28-8-11-31-12-9-28;23-18-15(2-1-3-16(18)28-34(29,30)14-7-11-32-12-14)19-20(17-4-8-25-22(24)26-17)33-21(27-19)13-5-9-31-10-6-13/h1-7,12H,8-11,13H2,(H2,28,29,30);4-12,30H,1-3H3;1-7,10H,8-9,11-13H2,(H2,24,25,26);1-4,7-8,11-13,28H,5-6,9-10H2,(H2,24,25,26)
• InChIKey: MRBSKFRNFVDAKK-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 453.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.64
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

The IUPAC name of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 159646995) is N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

What is the SMILES notation for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

The canonical SMILES for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c(-c2ccncn2)s1.Nc1nccc(-c2sc(C3CCOCC3)nc2-c2cccc(NS(=O)(=O)c3ccoc3)c2Cl)n1.Nc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(CS(=O)(=O)c3cc(F)ccc3F)c2Cl)n1.Nc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(CS(=O)(=O)c3ccco3)c2Cl)n1.

What is the InChIKey of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

The InChIKey is MRBSKFRNFVDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O3S2.C23H19F3N4O2S2.2C22H20ClN5O4S2/c25-20-14(13-37(33,34)19-12-15(26)4-5-17(19)27)2-1-3-16(20)21-22(18-6-7-29-23(28)30-18)36-24(31-21)32-8-10-35-11-9-32;1-23(2,3)22-29-20(21(33-22)17-9-10-27-12-28-17)14-5-4-6-16(19(14)26)30-34(31,32)18-11-13(24)7-8-15(18)25;23-18-14(13-34(29,30)17-5-2-10-32-17)3-1-4-15(18)19-20(16-6-7-25-21(24)26-16)33-22(27-19)28-8-11-31-12-9-28;23-18-15(2-1-3-16(18)28-34(29,30)14-7-11-32-12-14)19-20(17-4-8-25-22(24)26-17)33-21(27-19)13-5-9-31-10-6-13/h1-7,12H,8-11,13H2,(H2,28,29,30);4-12,30H,1-3H3;1-7,10H,8-9,11-13H2,(H2,24,25,26);1-4,7-8,11-13,28H,5-6,9-10H2,(H2,24,25,26).

What are the key properties of N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 2104.64 g/mol, XLogP of 19.07, 23 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 159646995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).