N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride

C17H23ClN4O2S2 — CID 119293306

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119293306) has the molecular formula C17H23ClN4O2S2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
• PubChem CID: 119293306
• Molecular Formula: C17H23ClN4O2S2
• Molecular Weight: 414.98 g/mol
• Exact Mass: 414.10
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
• SMILES: CC(=O)NCc1ccc(-c2nc(NC(=O)C3CCNCC3)sc2C)s1.Cl
• InChI: InChI=1S/C17H22N4O2S2.ClH/c1-10-15(14-4-3-13(25-14)9-19-11(2)22)20-17(24-10)21-16(23)12-5-7-18-8-6-12;/h3-4,12,18H,5-9H2,1-2H3,(H,19,22)(H,20,21,23);1H
• InChIKey: PXAVXSLXGTZFRD-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 83.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.98
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride (CID 119293306) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride is CC(=O)NCc1ccc(-c2nc(NC(=O)C3CCNCC3)sc2C)s1.Cl.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?

The InChIKey is PXAVXSLXGTZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2.ClH/c1-10-15(14-4-3-13(25-14)9-19-11(2)22)20-17(24-10)21-16(23)12-5-7-18-8-6-12;/h3-4,12,18H,5-9H2,1-2H3,(H,19,22)(H,20,21,23);1H.

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119293306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).