2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide

C18H23N3O2S — CID 111333750

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 111333750) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 111333750
• Molecular Formula: C18H23N3O2S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.15
• IUPAC Name: 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
• SMILES: CC(C)c1sc(NC(=O)CN2CC[C@H](O)C2)nc1-c1ccccc1
• InChI: InChI=1S/C18H23N3O2S/c1-12(2)17-16(13-6-4-3-5-7-13)20-18(24-17)19-15(23)11-21-9-8-14(22)10-21/h3-7,12,14,22H,8-11H2,1-2H3,(H,19,20,23)/t14-/m0/s1
• InChIKey: RJSUXMQDBNEQGX-AWEZNQCLSA-N
• XLogP: 2.94
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 111333750) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1sc(NC(=O)CN2CC[C@H](O)C2)nc1-c1ccccc1.

What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is RJSUXMQDBNEQGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)17-16(13-6-4-3-5-7-13)20-18(24-17)19-15(23)11-21-9-8-14(22)10-21/h3-7,12,14,22H,8-11H2,1-2H3,(H,19,20,23)/t14-/m0/s1.

What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide?

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 111333750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).