N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H21N3O3S — CID 91766472

About N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 91766472) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 91766472
• Molecular Formula: C17H21N3O3S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.13
• IUPAC Name: N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• SMILES: COc1ccc(C(NC(=O)Cc2csc(C)n2)C2CC(O)C2)cn1
• InChI: InChI=1S/C17H21N3O3S/c1-10-19-13(9-24-10)7-15(22)20-17(12-5-14(21)6-12)11-3-4-16(23-2)18-8-11/h3-4,8-9,12,14,17,21H,5-7H2,1-2H3,(H,20,22)
• InChIKey: PWRBIIXZUXMOET-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 91766472) is N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COc1ccc(C(NC(=O)Cc2csc(C)n2)C2CC(O)C2)cn1.

What is the InChIKey of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

The InChIKey is PWRBIIXZUXMOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-19-13(9-24-10)7-15(22)20-17(12-5-14(21)6-12)11-3-4-16(23-2)18-8-11/h3-4,8-9,12,14,17,21H,5-7H2,1-2H3,(H,20,22).

What are the key properties of N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91766472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).