3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide

C18H25N3O2S2 — CID 49215225

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide (PubChem CID 49215225) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
• PubChem CID: 49215225
• Molecular Formula: C18H25N3O2S2
• Molecular Weight: 379.55 g/mol
• Exact Mass: 379.14
• IUPAC Name: 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide
• SMILES: Cc1csc(=O)n1CCC(=O)NCC1CCCN(Cc2cccs2)C1
• InChI: InChI=1S/C18H25N3O2S2/c1-14-13-25-18(23)21(14)8-6-17(22)19-10-15-4-2-7-20(11-15)12-16-5-3-9-24-16/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3,(H,19,22)
• InChIKey: PRRMOPOYICQHKP-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.55
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?

The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide (CID 49215225) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide.

What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?

The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide is Cc1csc(=O)n1CCC(=O)NCC1CCCN(Cc2cccs2)C1.

What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?

The InChIKey is PRRMOPOYICQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-14-13-25-18(23)21(14)8-6-17(22)19-10-15-4-2-7-20(11-15)12-16-5-3-9-24-16/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3,(H,19,22).

What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide?

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide has a molecular weight of 379.55 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 49215225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).