2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid

C15H26N4O4S — CID 154908744

About 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid (PubChem CID 154908744) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid.

Molecular Properties

• Compound Name: 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid
• PubChem CID: 154908744
• Molecular Formula: C15H26N4O4S
• Molecular Weight: 358.46 g/mol
• Exact Mass: 358.17
• IUPAC Name: 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid
• SMILES: Cc1nc(N)sc1CC(=O)NCCN1CCCCC1CO.O=CO
• InChI: InChI=1S/C14H24N4O2S.CH2O2/c1-10-12(21-14(15)17-10)8-13(20)16-5-7-18-6-3-2-4-11(18)9-19;2-1-3/h11,19H,2-9H2,1H3,(H2,15,17)(H,16,20);1H,(H,2,3)
• InChIKey: DJADGSCICYUDGC-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 128.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.46
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid?

The IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid (CID 154908744) is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid.

What is the SMILES notation for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid?

The canonical SMILES for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid is Cc1nc(N)sc1CC(=O)NCCN1CCCCC1CO.O=CO.

What is the InChIKey of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid?

The InChIKey is DJADGSCICYUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.CH2O2/c1-10-12(21-14(15)17-10)8-13(20)16-5-7-18-6-3-2-4-11(18)9-19;2-1-3/h11,19H,2-9H2,1H3,(H2,15,17)(H,16,20);1H,(H,2,3).

What are the key properties of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid?

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid has a molecular weight of 358.46 g/mol, XLogP of 0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide;formic acid is sourced from PubChem (CID 154908744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).