N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C38H43ClN10O3S — CID 168902153

About N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 168902153) has the molecular formula C38H43ClN10O3S and a molecular weight of 755.35 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 168902153
• Molecular Formula: C38H43ClN10O3S
• Molecular Weight: 755.35 g/mol
• Exact Mass: 754.29
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CC3[C@@H]2CN3CCCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3)CC2)n1
• InChI: InChI=1S/C38H43ClN10O3S/c1-23-5-3-6-28(39)35(23)45-37(52)31-20-40-38(53-31)43-32-19-33(42-24(2)41-32)49-22-29-30(49)21-48(29)14-4-13-46-15-17-47(18-16-46)26-9-7-25(8-10-26)27-11-12-34(50)44-36(27)51/h3,5-10,19-20,27,29-30H,4,11-18,21-22H2,1-2H3,(H,45,52)(H,44,50,51)(H,40,41,42,43)/t27?,29?,30-/m0/s1
• InChIKey: RXIWMSZUHXSYGD-ISLPKECHSA-N
• XLogP: 4.80
• TPSA: 138.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.35
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 168902153) is N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CC3[C@@H]2CN3CCCN2CCN(c3ccc(C4CCC(=O)NC4=O)cc3)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is RXIWMSZUHXSYGD-ISLPKECHSA-N. The full InChI is InChI=1S/C38H43ClN10O3S/c1-23-5-3-6-28(39)35(23)45-37(52)31-20-40-38(53-31)43-32-19-33(42-24(2)41-32)49-22-29-30(49)21-48(29)14-4-13-46-15-17-47(18-16-46)26-9-7-25(8-10-26)27-11-12-34(50)44-36(27)51/h3,5-10,19-20,27,29-30H,4,11-18,21-22H2,1-2H3,(H,45,52)(H,44,50,51)(H,40,41,42,43)/t27?,29?,30-/m0/s1.

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 755.35 g/mol, XLogP of 4.80, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[6-[(1S)-5-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168902153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).