2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide

C18H23N3O2S — CID 45479114

About 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide

2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 45479114) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

• Compound Name: 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
• PubChem CID: 45479114
• Molecular Formula: C18H23N3O2S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.15
• IUPAC Name: 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide
• SMILES: CC(=O)NC(C(=O)Nc1ncc(Cc2cccc(C)c2)s1)C(C)C
• InChI: InChI=1S/C18H23N3O2S/c1-11(2)16(20-13(4)22)17(23)21-18-19-10-15(24-18)9-14-7-5-6-12(3)8-14/h5-8,10-11,16H,9H2,1-4H3,(H,20,22)(H,19,21,23)
• InChIKey: DMGYNULJUQGHDL-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?

The IUPAC name of 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide (CID 45479114) is 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide.

What is the SMILES notation for 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?

The canonical SMILES for 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide is CC(=O)NC(C(=O)Nc1ncc(Cc2cccc(C)c2)s1)C(C)C.

What is the InChIKey of 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?

The InChIKey is DMGYNULJUQGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11(2)16(20-13(4)22)17(23)21-18-19-10-15(24-18)9-14-7-5-6-12(3)8-14/h5-8,10-11,16H,9H2,1-4H3,(H,20,22)(H,19,21,23).

What are the key properties of 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide?

2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 345.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-3-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 45479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).