N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

C95H116N36OS5 — CID 158624172

About N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 158624172) has the molecular formula C95H116N36OS5 and a molecular weight of 1938.56 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
• PubChem CID: 158624172
• Molecular Formula: C95H116N36OS5
• Molecular Weight: 1938.56 g/mol
• Exact Mass: 1936.87
• IUPAC Name: N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
• SMILES: CCN1CCN(c2cc(Nc3nc(-c4cccnc4)cs3)nc(C)n2)CC1.CCN1CCN(c2cc(Nc3ncc(-c4cccnc4)s3)nc(C)n2)CC1.CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1.Cc1nc(Nc2ncc(-c3cccnc3)s2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCC(N(C)C)CC2)n1
• InChI: InChI=1S/C20H25N7S.C19H23N7OS.2C19H23N7S.C18H22N8S/c1-14-23-18(12-19(24-14)27-10-6-16(7-11-27)26(2)3)25-20-22-13-17(28-20)15-4-8-21-9-5-15;1-14-22-17(11-18(23-14)26-7-5-25(6-8-26)9-10-27)24-19-21-13-16(28-19)15-3-2-4-20-12-15;1-3-25-7-9-26(10-8-25)18-11-17(21-14(2)22-18)24-19-23-16(13-27-19)15-5-4-6-20-12-15;1-3-25-7-9-26(10-8-25)18-11-17(22-14(2)23-18)24-19-21-13-16(27-19)15-5-4-6-20-12-15;1-3-25-4-6-26(7-5-25)17-8-16(22-13(2)23-17)24-18-21-11-15(27-18)14-9-19-12-20-10-14/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,22,23,24,25);2-4,11-13,27H,5-10H2,1H3,(H,21,22,23,24);2*4-6,11-13H,3,7-10H2,1-2H3,(H,21,22,23,24);8-12H,3-7H2,1-2H3,(H,21,22,23,24)
• InChIKey: HYJOEZXDJGMETR-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 383.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.56
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?

The IUPAC name of N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 158624172) is N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?

The canonical SMILES for N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is CCN1CCN(c2cc(Nc3nc(-c4cccnc4)cs3)nc(C)n2)CC1.CCN1CCN(c2cc(Nc3ncc(-c4cccnc4)s3)nc(C)n2)CC1.CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1.Cc1nc(Nc2ncc(-c3cccnc3)s2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCC(N(C)C)CC2)n1.

What is the InChIKey of N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?

The InChIKey is HYJOEZXDJGMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7S.C19H23N7OS.2C19H23N7S.C18H22N8S/c1-14-23-18(12-19(24-14)27-10-6-16(7-11-27)26(2)3)25-20-22-13-17(28-20)15-4-8-21-9-5-15;1-14-22-17(11-18(23-14)26-7-5-25(6-8-26)9-10-27)24-19-21-13-16(28-19)15-3-2-4-20-12-15;1-3-25-7-9-26(10-8-25)18-11-17(21-14(2)22-18)24-19-23-16(13-27-19)15-5-4-6-20-12-15;1-3-25-7-9-26(10-8-25)18-11-17(22-14(2)23-18)24-19-21-13-16(27-19)15-5-4-6-20-12-15;1-3-25-4-6-26(7-5-25)17-8-16(22-13(2)23-17)24-18-21-11-15(27-18)14-9-19-12-20-10-14/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,22,23,24,25);2-4,11-13,27H,5-10H2,1H3,(H,21,22,23,24);2*4-6,11-13H,3,7-10H2,1-2H3,(H,21,22,23,24);8-12H,3-7H2,1-2H3,(H,21,22,23,24).

What are the key properties of N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?

N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 1938.56 g/mol, XLogP of 14.70, 26 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyridin-3-yl-1,3-thiazol-2-amine;N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-5-pyrimidin-5-yl-1,3-thiazol-2-amine;2-[4-[2-methyl-6-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 158624172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).