5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C17H22N4O2S2 — CID 24586725

About 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 24586725) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 24586725
• Molecular Formula: C17H22N4O2S2
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.12
• IUPAC Name: 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CC(=O)Nc1ccc(C(=O)Nc2nc(CN3CCCC(C)C3)cs2)s1
• InChI: InChI=1S/C17H22N4O2S2/c1-11-4-3-7-21(8-11)9-13-10-24-17(19-13)20-16(23)14-5-6-15(25-14)18-12(2)22/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,22)(H,19,20,23)
• InChIKey: QVGADXDFAPMKCY-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 24586725) is 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)Nc2nc(CN3CCCC(C)C3)cs2)s1.

What is the InChIKey of 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is QVGADXDFAPMKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-11-4-3-7-21(8-11)9-13-10-24-17(19-13)20-16(23)14-5-6-15(25-14)18-12(2)22/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,22)(H,19,20,23).

What are the key properties of 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24586725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).