3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C18H26N4O3S — CID 95861541

About 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95861541) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 95861541
• Molecular Formula: C18H26N4O3S
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.17
• IUPAC Name: 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
• SMILES: Cc1ccc(CN2CCN(CCC(=O)Nc3nccs3)C[C@@H]2CCO)o1
• InChI: InChI=1S/C18H26N4O3S/c1-14-2-3-16(25-14)13-22-9-8-21(12-15(22)5-10-23)7-4-17(24)20-18-19-6-11-26-18/h2-3,6,11,15,23H,4-5,7-10,12-13H2,1H3,(H,19,20,24)/t15-/m0/s1
• InChIKey: ZARAQXNAJNNMBP-HNNXBMFYSA-N
• XLogP: 1.94
• TPSA: 81.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 95861541) is 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(CN2CCN(CCC(=O)Nc3nccs3)C[C@@H]2CCO)o1.

What is the InChIKey of 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is ZARAQXNAJNNMBP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-14-2-3-16(25-14)13-22-9-8-21(12-15(22)5-10-23)7-4-17(24)20-18-19-6-11-26-18/h2-3,6,11,15,23H,4-5,7-10,12-13H2,1H3,(H,19,20,24)/t15-/m0/s1.

What are the key properties of 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?

3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 378.50 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95861541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).