[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone

C22H26N4O2S — CID 155985021

About [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone

[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone (PubChem CID 155985021) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone.

Molecular Properties

• Compound Name: [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
• PubChem CID: 155985021
• Molecular Formula: C22H26N4O2S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.18
• IUPAC Name: [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
• SMILES: Cc1cnc(Nc2cccc(C3CN(C(=O)C4C5C6CCC(C6)C45)CCO3)n2)s1
• InChI: InChI=1S/C22H26N4O2S/c1-12-10-23-22(29-12)25-17-4-2-3-15(24-17)16-11-26(7-8-28-16)21(27)20-18-13-5-6-14(9-13)19(18)20/h2-4,10,13-14,16,18-20H,5-9,11H2,1H3,(H,23,24,25)
• InChIKey: YDRMSQWXSZRUSR-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?

The IUPAC name of [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone (CID 155985021) is [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone.

What is the SMILES notation for [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?

The canonical SMILES for [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone is Cc1cnc(Nc2cccc(C3CN(C(=O)C4C5C6CCC(C6)C45)CCO3)n2)s1.

What is the InChIKey of [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?

The InChIKey is YDRMSQWXSZRUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-12-10-23-22(29-12)25-17-4-2-3-15(24-17)16-11-26(7-8-28-16)21(27)20-18-13-5-6-14(9-13)19(18)20/h2-4,10,13-14,16,18-20H,5-9,11H2,1H3,(H,23,24,25).

What are the key properties of [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone?

[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone has a molecular weight of 410.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone is sourced from PubChem (CID 155985021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).