2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide

C18H20N6OS — CID 97271410

About 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97271410) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide
• PubChem CID: 97271410
• Molecular Formula: C18H20N6OS
• Molecular Weight: 368.47 g/mol
• Exact Mass: 368.14
• IUPAC Name: 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide
• SMILES: NC(=O)Cn1ccnc1[C@@H]1CCCN(c2nnc(-c3ccccc3)s2)C1
• InChI: InChI=1S/C18H20N6OS/c19-15(25)12-23-10-8-20-16(23)14-7-4-9-24(11-14)18-22-21-17(26-18)13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,19,25)/t14-/m1/s1
• InChIKey: UTBHOSVVLDHNKE-CQSZACIVSA-N
• XLogP: 2.27
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.47
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide?

The IUPAC name of 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97271410) is 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide.

What is the SMILES notation for 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide?

The canonical SMILES for 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@@H]1CCCN(c2nnc(-c3ccccc3)s2)C1.

What is the InChIKey of 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide?

The InChIKey is UTBHOSVVLDHNKE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-15(25)12-23-10-8-20-16(23)14-7-4-9-24(11-14)18-22-21-17(26-18)13-5-2-1-3-6-13/h1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,19,25)/t14-/m1/s1.

What are the key properties of 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide?

2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 368.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(3R)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97271410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).