N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide

C25H33N5O3S — CID 139919329

About N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 139919329) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide
• PubChem CID: 139919329
• Molecular Formula: C25H33N5O3S
• Molecular Weight: 483.64 g/mol
• Exact Mass: 483.23
• IUPAC Name: N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide
• SMILES: COc1ccc(NC(=O)Cc2sc(-c3cnccn3)nc2C)cc1OCCN(C(C)C)C(C)C
• InChI: InChI=1S/C25H33N5O3S/c1-16(2)30(17(3)4)11-12-33-22-13-19(7-8-21(22)32-6)29-24(31)14-23-18(5)28-25(34-23)20-15-26-9-10-27-20/h7-10,13,15-17H,11-12,14H2,1-6H3,(H,29,31)
• InChIKey: FDXYXUSNTXTONI-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.64
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide?

The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide (CID 139919329) is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide.

What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide?

The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide is COc1ccc(NC(=O)Cc2sc(-c3cnccn3)nc2C)cc1OCCN(C(C)C)C(C)C.

What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide?

The InChIKey is FDXYXUSNTXTONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-16(2)30(17(3)4)11-12-33-22-13-19(7-8-21(22)32-6)29-24(31)14-23-18(5)28-25(34-23)20-15-26-9-10-27-20/h7-10,13,15-17H,11-12,14H2,1-6H3,(H,29,31).

What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide?

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 483.64 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 139919329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).