N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

C18H19N7O3S2 — CID 121256409

About N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (PubChem CID 121256409) has the molecular formula C18H19N7O3S2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• PubChem CID: 121256409
• Molecular Formula: C18H19N7O3S2
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.10
• IUPAC Name: N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
• SMILES: CC(=O)Nc1nnc(C(Oc2nnc(NC(=O)Cc3ccccc3)s2)C2CNC2)s1
• InChI: InChI=1S/C18H19N7O3S2/c1-10(26)20-16-23-22-15(29-16)14(12-8-19-9-12)28-18-25-24-17(30-18)21-13(27)7-11-5-3-2-4-6-11/h2-6,12,14,19H,7-9H2,1H3,(H,20,23,26)(H,21,24,27)
• InChIKey: KDKBEHYGNBQMRY-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 131.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The IUPAC name of N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide (CID 121256409) is N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is CC(=O)Nc1nnc(C(Oc2nnc(NC(=O)Cc3ccccc3)s2)C2CNC2)s1.

What is the InChIKey of N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

The InChIKey is KDKBEHYGNBQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3S2/c1-10(26)20-16-23-22-15(29-16)14(12-8-19-9-12)28-18-25-24-17(30-18)21-13(27)7-11-5-3-2-4-6-11/h2-6,12,14,19H,7-9H2,1H3,(H,20,23,26)(H,21,24,27).

What are the key properties of N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide?

N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide has a molecular weight of 445.53 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)-(azetidin-3-yl)methoxy]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 121256409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).