N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

C60H82ClN11O7S2 — CID 158974770

About N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 158974770) has the molecular formula C60H82ClN11O7S2 and a molecular weight of 1168.97 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 158974770
• Molecular Formula: C60H82ClN11O7S2
• Molecular Weight: 1168.97 g/mol
• Exact Mass: 1167.55
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
• SMILES: CCC(=O)CCCCCC(=O)N1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.CCCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C
• InChI: InChI=1S/C31H46N4O4S.C29H36ClN7O3S/c1-6-7-8-9-10-11-12-26(37)34-28(31(3,4)5)30(39)35-19-24(36)17-25(35)29(38)32-18-22-13-15-23(16-14-22)27-21(2)33-20-40-27;1-4-21(38)10-6-5-7-12-26(39)37-15-13-36(14-16-37)25-17-24(32-20(3)33-25)34-29-31-18-23(41-29)28(40)35-27-19(2)9-8-11-22(27)30/h13-16,20,24-25,28,36H,6-12,17-19H2,1-5H3,(H,32,38)(H,34,37);8-9,11,17-18H,4-7,10,12-16H2,1-3H3,(H,35,40)(H,31,32,33,34)/t24-,25+,28-;/m1./s1
• InChIKey: JOGGSVPMKXUTOK-RAGVHRFXSA-N
• XLogP: 10.76
• TPSA: 232.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.97
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 158974770) is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is CCC(=O)CCCCCC(=O)N1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.CCCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is JOGGSVPMKXUTOK-RAGVHRFXSA-N. The full InChI is InChI=1S/C31H46N4O4S.C29H36ClN7O3S/c1-6-7-8-9-10-11-12-26(37)34-28(31(3,4)5)30(39)35-19-24(36)17-25(35)29(38)32-18-22-13-15-23(16-14-22)27-21(2)33-20-40-27;1-4-21(38)10-6-5-7-12-26(39)37-15-13-36(14-16-37)25-17-24(32-20(3)33-25)34-29-31-18-23(41-29)28(40)35-27-19(2)9-8-11-22(27)30/h13-16,20,24-25,28,36H,6-12,17-19H2,1-5H3,(H,32,38)(H,34,37);8-9,11,17-18H,4-7,10,12-16H2,1-3H3,(H,35,40)(H,31,32,33,34)/t24-,25+,28-;/m1./s1.

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 1168.97 g/mol, XLogP of 10.76, 25 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-(7-oxononanoyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;(2S,4R)-1-[(2S)-3,3-dimethyl-2-(nonanoylamino)butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158974770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).