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

C25H35N5O3S — CID 132768264

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

tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate (PubChem CID 132768264) has the molecular formula C25H35N5O3S and a molecular weight of 485.65 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate
• PubChem CID: 132768264
• Molecular Formula: C25H35N5O3S
• Molecular Weight: 485.65 g/mol
• Exact Mass: 485.25
• IUPAC Name: tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate
• SMILES: Cc1cnc(Nc2cc(C3CCN(C(=O)C4CCCCN4C(=O)OC(C)(C)C)CC3)ccn2)s1
• InChI: InChI=1S/C25H35N5O3S/c1-17-16-27-23(34-17)28-21-15-19(8-11-26-21)18-9-13-29(14-10-18)22(31)20-7-5-6-12-30(20)24(32)33-25(2,3)4/h8,11,15-16,18,20H,5-7,9-10,12-14H2,1-4H3,(H,26,27,28)
• InChIKey: QLPQUGBUTCPZKW-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.65
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate (CID 132768264) is tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate.

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

The canonical SMILES for tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate is Cc1cnc(Nc2cc(C3CCN(C(=O)C4CCCCN4C(=O)OC(C)(C)C)CC3)ccn2)s1.

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

The InChIKey is QLPQUGBUTCPZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3S/c1-17-16-27-23(34-17)28-21-15-19(8-11-26-21)18-9-13-29(14-10-18)22(31)20-7-5-6-12-30(20)24(32)33-25(2,3)4/h8,11,15-16,18,20H,5-7,9-10,12-14H2,1-4H3,(H,26,27,28).

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

tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate has a molecular weight of 485.65 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[4-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperidine-1-carbonyl]piperidine-1-carboxylate is sourced from PubChem (CID 132768264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).