N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

C118H131N21O11S5 — CID 159676356

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 159676356) has the molecular formula C118H131N21O11S5 and a molecular weight of 2179.82 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
• PubChem CID: 159676356
• Molecular Formula: C118H131N21O11S5
• Molecular Weight: 2179.82 g/mol
• Exact Mass: 2177.89
• IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
• SMILES: COc1ccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)cc1.COc1cccc(CCNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)c1.Cc1nc(NC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)sc1C
• InChI: InChI=1S/C31H35N5O3S.2C30H33N5O3S.C27H30N6O2S2/c1-39-26-7-3-5-22(21-26)10-15-32-30(38)29-9-8-28(40-29)27-11-16-33-31(35-27)34-24-6-2-4-23(20-24)12-17-36-18-13-25(37)14-19-36;1-38-25-7-3-5-22(19-25)20-32-29(37)28-9-8-27(39-28)26-10-14-31-30(34-26)33-23-6-2-4-21(18-23)11-15-35-16-12-24(36)13-17-35;1-38-25-7-5-22(6-8-25)20-32-29(37)28-10-9-27(39-28)26-11-15-31-30(34-26)33-23-4-2-3-21(19-23)12-16-35-17-13-24(36)14-18-35;1-17-18(2)36-27(29-17)32-25(35)24-7-6-23(37-24)22-8-12-28-26(31-22)30-20-5-3-4-19(16-20)9-13-33-14-10-21(34)11-15-33/h2-9,11,16,20-21,25,37H,10,12-15,17-19H2,1H3,(H,32,38)(H,33,34,35);2-10,14,18-19,24,36H,11-13,15-17,20H2,1H3,(H,32,37)(H,31,33,34);2-11,15,19,24,36H,12-14,16-18,20H2,1H3,(H,32,37)(H,31,33,34);3-8,12,16,21,34H,9-11,13-15H2,1-2H3,(H,28,30,31)(H,29,32,35)
• InChIKey: MUQIYGHNESQYRJ-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 402.10 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 39
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2179.82
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?

The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 159676356) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)cc1.COc1cccc(CCNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)c1.COc1cccc(CNC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)c1.Cc1nc(NC(=O)c2ccc(-c3ccnc(Nc4cccc(CCN5CCC(O)CC5)c4)n3)s2)sc1C.

What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?

The InChIKey is MUQIYGHNESQYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3S.2C30H33N5O3S.C27H30N6O2S2/c1-39-26-7-3-5-22(21-26)10-15-32-30(38)29-9-8-28(40-29)27-11-16-33-31(35-27)34-24-6-2-4-23(20-24)12-17-36-18-13-25(37)14-19-36;1-38-25-7-3-5-22(19-25)20-32-29(37)28-9-8-27(39-28)26-10-14-31-30(34-26)33-23-6-2-4-21(18-23)11-15-35-16-12-24(36)13-17-35;1-38-25-7-5-22(6-8-25)20-32-29(37)28-10-9-27(39-28)26-11-15-31-30(34-26)33-23-4-2-3-21(19-23)12-16-35-17-13-24(36)14-18-35;1-17-18(2)36-27(29-17)32-25(35)24-7-6-23(37-24)22-8-12-28-26(31-22)30-20-5-3-4-19(16-20)9-13-33-14-10-21(34)11-15-33/h2-9,11,16,20-21,25,37H,10,12-15,17-19H2,1H3,(H,32,38)(H,33,34,35);2-10,14,18-19,24,36H,11-13,15-17,20H2,1H3,(H,32,37)(H,31,33,34);2-11,15,19,24,36H,12-14,16-18,20H2,1H3,(H,32,37)(H,31,33,34);3-8,12,16,21,34H,9-11,13-15H2,1-2H3,(H,28,30,31)(H,29,32,35).

What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 2179.82 g/mol, XLogP of 19.98, 39 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide;5-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethyl]anilino]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 159676356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).