2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde

C37H45ClN10O3S — CID 166112790

About 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde

2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 166112790) has the molecular formula C37H45ClN10O3S and a molecular weight of 745.35 g/mol. Its IUPAC name is 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde
• PubChem CID: 166112790
• Molecular Formula: C37H45ClN10O3S
• Molecular Weight: 745.35 g/mol
• Exact Mass: 744.31
• IUPAC Name: 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde
• SMILES: CNc1c(C)cccc1Cl.Cc1nc(Nc2ncc(C=O)s2)cc(N2CCN(CC3CCN(c4cncc(C5CCC(=O)NC5=O)c4)CC3)CC2)n1
• InChI: InChI=1S/C29H35N9O3S.C8H10ClN/c1-19-32-25(34-29-31-16-23(18-39)42-29)13-26(33-19)38-10-8-36(9-11-38)17-20-4-6-37(7-5-20)22-12-21(14-30-15-22)24-2-3-27(40)35-28(24)41;1-6-4-3-5-7(9)8(6)10-2/h12-16,18,20,24H,2-11,17H2,1H3,(H,35,40,41)(H,31,32,33,34);3-5,10H,1-2H3
• InChIKey: MWRLPBKEJCXKQH-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 148.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	745.35
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?

The IUPAC name of 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde (CID 166112790) is 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde.

What is the SMILES notation for 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?

The canonical SMILES for 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde is CNc1c(C)cccc1Cl.Cc1nc(Nc2ncc(C=O)s2)cc(N2CCN(CC3CCN(c4cncc(C5CCC(=O)NC5=O)c4)CC3)CC2)n1.

What is the InChIKey of 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?

The InChIKey is MWRLPBKEJCXKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O3S.C8H10ClN/c1-19-32-25(34-29-31-16-23(18-39)42-29)13-26(33-19)38-10-8-36(9-11-38)17-20-4-6-37(7-5-20)22-12-21(14-30-15-22)24-2-3-27(40)35-28(24)41;1-6-4-3-5-7(9)8(6)10-2/h12-16,18,20,24H,2-11,17H2,1H3,(H,35,40,41)(H,31,32,33,34);3-5,10H,1-2H3.

What are the key properties of 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde?

2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 745.35 g/mol, XLogP of 5.44, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N,6-dimethylaniline;2-[[6-[4-[[1-[5-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 166112790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).