N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H20N4O2S2 — CID 119444365

About N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 119444365) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 119444365
• Molecular Formula: C16H20N4O2S2
• Molecular Weight: 364.50 g/mol
• Exact Mass: 364.10
• IUPAC Name: N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCNCC1
• InChI: InChI=1S/C16H20N4O2S2/c1-20(12-4-6-17-7-5-12)14(21)9-11-10-24-16(18-11)19-15(22)13-3-2-8-23-13/h2-3,8,10,12,17H,4-7,9H2,1H3,(H,18,19,22)
• InChIKey: OHBMYRWQZNZOOX-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.50
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 119444365) is N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

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

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

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

The InChIKey is OHBMYRWQZNZOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-20(12-4-6-17-7-5-12)14(21)9-11-10-24-16(18-11)19-15(22)13-3-2-8-23-13/h2-3,8,10,12,17H,4-7,9H2,1H3,(H,18,19,22).

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

N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 364.50 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 119444365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).