2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C20H27N3O2S2 — CID 71841752

About 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841752) has the molecular formula C20H27N3O2S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
• PubChem CID: 71841752
• Molecular Formula: C20H27N3O2S2
• Molecular Weight: 405.59 g/mol
• Exact Mass: 405.15
• IUPAC Name: 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
• SMILES: Cc1ccsc1C(=O)N1CCCC(c2nc(CCNC(=O)C(C)C)cs2)C1
• InChI: InChI=1S/C20H27N3O2S2/c1-13(2)18(24)21-8-6-16-12-27-19(22-16)15-5-4-9-23(11-15)20(25)17-14(3)7-10-26-17/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3,(H,21,24)
• InChIKey: RLIBJDRUNXYJOQ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.59
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?

The IUPAC name of 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841752) is 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

What is the SMILES notation for 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?

The canonical SMILES for 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is Cc1ccsc1C(=O)N1CCCC(c2nc(CCNC(=O)C(C)C)cs2)C1.

What is the InChIKey of 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?

The InChIKey is RLIBJDRUNXYJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S2/c1-13(2)18(24)21-8-6-16-12-27-19(22-16)15-5-4-9-23(11-15)20(25)17-14(3)7-10-26-17/h7,10,12-13,15H,4-6,8-9,11H2,1-3H3,(H,21,24).

What are the key properties of 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?

2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 405.59 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-[2-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).