methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

C21H23N5O2S — CID 58706718

About methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 58706718) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
• PubChem CID: 58706718
• Molecular Formula: C21H23N5O2S
• Molecular Weight: 409.52 g/mol
• Exact Mass: 409.16
• IUPAC Name: methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
• SMILES: COC(=O)N1CCC(c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1
• InChI: InChI=1S/C21H23N5O2S/c1-14-6-9-22-19(12-14)25-18-5-3-4-16(24-18)17-13-23-20(29-17)15-7-10-26(11-8-15)21(27)28-2/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,22,24,25)
• InChIKey: UEVOYTMDQHATSK-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.52
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?

The IUPAC name of methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 58706718) is methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate.

What is the SMILES notation for methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?

The canonical SMILES for methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2ncc(-c3cccc(Nc4cc(C)ccn4)n3)s2)CC1.

What is the InChIKey of methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?

The InChIKey is UEVOYTMDQHATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-6-9-22-19(12-14)25-18-5-3-4-16(24-18)17-13-23-20(29-17)15-7-10-26(11-8-15)21(27)28-2/h3-6,9,12-13,15H,7-8,10-11H2,1-2H3,(H,22,24,25).

What are the key properties of methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate?

methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 409.52 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58706718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).