(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C22H26N4O3S — CID 93068918

About (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 93068918) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
• PubChem CID: 93068918
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
• SMILES: CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c1
• InChI: InChI=1S/C22H26N4O3S/c1-3-28-16-9-10-19(29-4-2)18(13-16)24-20(27)15-7-6-12-26(14-15)22-25-17-8-5-11-23-21(17)30-22/h5,8-11,13,15H,3-4,6-7,12,14H2,1-2H3,(H,24,27)/t15-/m0/s1
• InChIKey: VLIROZOUZJCFTB-HNNXBMFYSA-N
• XLogP: 4.34
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

The IUPAC name of (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 93068918) is (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c1.

What is the InChIKey of (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

The InChIKey is VLIROZOUZJCFTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-3-28-16-9-10-19(29-4-2)18(13-16)24-20(27)15-7-6-12-26(14-15)22-25-17-8-5-11-23-21(17)30-22/h5,8-11,13,15H,3-4,6-7,12,14H2,1-2H3,(H,24,27)/t15-/m0/s1.

What are the key properties of (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?

(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 93068918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).