tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate

C24H35N5O3S — CID 155985712

About tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 155985712) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate
• PubChem CID: 155985712
• Molecular Formula: C24H35N5O3S
• Molecular Weight: 473.64 g/mol
• Exact Mass: 473.25
• IUPAC Name: tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate
• SMILES: CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC3)n2)s1
• InChI: InChI=1S/C24H35N5O3S/c1-6-8-18-15-25-22(33-18)28-20-10-7-9-19(27-20)17-11-13-29(14-12-17)21(30)16(2)26-23(31)32-24(3,4)5/h7,9-10,15-17H,6,8,11-14H2,1-5H3,(H,26,31)(H,25,27,28)/t16-/m0/s1
• InChIKey: FCZMIEUWACFMFL-INIZCTEOSA-N
• XLogP: 4.85
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.64
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate (CID 155985712) is tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate is CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC3)n2)s1.

What is the InChIKey of tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate?

The InChIKey is FCZMIEUWACFMFL-INIZCTEOSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-6-8-18-15-25-22(33-18)28-20-10-7-9-19(27-20)17-11-13-29(14-12-17)21(30)16(2)26-23(31)32-24(3,4)5/h7,9-10,15-17H,6,8,11-14H2,1-5H3,(H,26,31)(H,25,27,28)/t16-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate?

tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 473.64 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-oxo-1-[4-[6-[(5-propyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 155985712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).