N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

C22H24N4O2S2 — CID 30823052

About N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 30823052) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 30823052
• Molecular Formula: C22H24N4O2S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.13
• IUPAC Name: N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
• SMILES: C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3NC(=O)c3cccs3)n2)C1
• InChI: InChI=1S/C22H24N4O2S2/c1-15-6-4-10-26(12-15)13-16-14-30-22(23-16)25-20(27)17-7-2-3-8-18(17)24-21(28)19-9-5-11-29-19/h2-3,5,7-9,11,14-15H,4,6,10,12-13H2,1H3,(H,24,28)(H,23,25,27)/t15-/m0/s1
• InChIKey: KEVQDHVNMIASAB-HNNXBMFYSA-N
• XLogP: 4.94
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 30823052) is N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is C[C@H]1CCCN(Cc2csc(NC(=O)c3ccccc3NC(=O)c3cccs3)n2)C1.

What is the InChIKey of N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

The InChIKey is KEVQDHVNMIASAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-15-6-4-10-26(12-15)13-16-14-30-22(23-16)25-20(27)17-7-2-3-8-18(17)24-21(28)19-9-5-11-29-19/h2-3,5,7-9,11,14-15H,4,6,10,12-13H2,1H3,(H,24,28)(H,23,25,27)/t15-/m0/s1.

What are the key properties of N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide?

N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30823052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).