N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C18H24N4O2S2 — CID 119826140

About N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 119826140) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 119826140
• Molecular Formula: C18H24N4O2S2
• Molecular Weight: 392.55 g/mol
• Exact Mass: 392.13
• IUPAC Name: N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCNCC1
• InChI: InChI=1S/C18H24N4O2S2/c1-2-9-22(14-5-7-19-8-6-14)16(23)11-13-12-26-18(20-13)21-17(24)15-4-3-10-25-15/h3-4,10,12,14,19H,2,5-9,11H2,1H3,(H,20,21,24)
• InChIKey: CBWNURAKTPKVDC-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.55
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 119826140) is N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CCCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCNCC1.

What is the InChIKey of N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is CBWNURAKTPKVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-2-9-22(14-5-7-19-8-6-14)16(23)11-13-12-26-18(20-13)21-17(24)15-4-3-10-25-15/h3-4,10,12,14,19H,2,5-9,11H2,1H3,(H,20,21,24).

What are the key properties of N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 119826140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).