N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C120H137N35O10S5 — CID 159147312

About N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 159147312) has the molecular formula C120H137N35O10S5 and a molecular weight of 2389.99 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 159147312
• Molecular Formula: C120H137N35O10S5
• Molecular Weight: 2389.99 g/mol
• Exact Mass: 2387.99
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: C=CC(=O)N1CCC(CNc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.C=CC(=O)N1CCCCC(Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.C=CC(=O)N1CCC[C@@H](Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.C=CC(=O)N1CCC[C@H](Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.CCC(=O)N1CC[C@H](Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1
• InChI: InChI=1S/C25H29N7O2S.3C24H27N7O2S.C23H27N7O2S/c1-4-21(33)32-13-6-5-10-18(15-32)28-24-26-12-11-20(29-24)30-25-27-14-19(35-25)23(34)31-22-16(2)8-7-9-17(22)3;2*1-4-20(32)31-12-6-9-17(14-31)27-23-25-11-10-19(28-23)29-24-26-13-18(34-24)22(33)30-21-15(2)7-5-8-16(21)3;1-4-20(32)31-11-9-17(14-31)12-26-23-25-10-8-19(28-23)29-24-27-13-18(34-24)22(33)30-21-15(2)6-5-7-16(21)3;1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h4,7-9,11-12,14,18H,1,5-6,10,13,15H2,2-3H3,(H,31,34)(H2,26,27,28,29,30);2*4-5,7-8,10-11,13,17H,1,6,9,12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29);4-8,10,13,17H,1,9,11-12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29);5-8,10,12,16H,4,9,11,13H2,1-3H3,(H,29,32)(H2,24,25,26,27,28)/t;2*17-;;16-/m.10.0/s1
• InChIKey: KIVPTENUPWDKDS-RASBEDEYSA-N
• XLogP: 20.76
• TPSA: 560.70 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.99
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 159147312) is N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is C=CC(=O)N1CCC(CNc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.C=CC(=O)N1CCCCC(Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.C=CC(=O)N1CCC[C@@H](Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.C=CC(=O)N1CCC[C@H](Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.CCC(=O)N1CC[C@H](Nc2nccc(Nc3ncc(C(=O)Nc4c(C)cccc4C)s3)n2)C1.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is KIVPTENUPWDKDS-RASBEDEYSA-N. The full InChI is InChI=1S/C25H29N7O2S.3C24H27N7O2S.C23H27N7O2S/c1-4-21(33)32-13-6-5-10-18(15-32)28-24-26-12-11-20(29-24)30-25-27-14-19(35-25)23(34)31-22-16(2)8-7-9-17(22)3;2*1-4-20(32)31-12-6-9-17(14-31)27-23-25-11-10-19(28-23)29-24-26-13-18(34-24)22(33)30-21-15(2)7-5-8-16(21)3;1-4-20(32)31-11-9-17(14-31)12-26-23-25-10-8-19(28-23)29-24-27-13-18(34-24)22(33)30-21-15(2)6-5-7-16(21)3;1-4-19(31)30-11-9-16(13-30)26-22-24-10-8-18(27-22)28-23-25-12-17(33-23)21(32)29-20-14(2)6-5-7-15(20)3/h4,7-9,11-12,14,18H,1,5-6,10,13,15H2,2-3H3,(H,31,34)(H2,26,27,28,29,30);2*4-5,7-8,10-11,13,17H,1,6,9,12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29);4-8,10,13,17H,1,9,11-12,14H2,2-3H3,(H,30,33)(H2,25,26,27,28,29);5-8,10,12,16H,4,9,11,13H2,1-3H3,(H,29,32)(H2,24,25,26,27,28)/t;2*17-;;16-/m.10.0/s1.

What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 2389.99 g/mol, XLogP of 20.76, 36 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylazepan-3-yl)amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3S)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;N-(2,6-dimethylphenyl)-2-[[2-[(1-prop-2-enoylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159147312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).