2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide

C14H20N6O2S2 — CID 663547

About 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide

2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 663547) has the molecular formula C14H20N6O2S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
• PubChem CID: 663547
• Molecular Formula: C14H20N6O2S2
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.11
• IUPAC Name: 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
• SMILES: CC(C)C(=O)Nc1nnc(CCc2nnc(NC(=O)C(C)C)s2)s1
• InChI: InChI=1S/C14H20N6O2S2/c1-7(2)11(21)15-13-19-17-9(23-13)5-6-10-18-20-14(24-10)16-12(22)8(3)4/h7-8H,5-6H2,1-4H3,(H,15,19,21)(H,16,20,22)
• InChIKey: PZKCPYPRBWLMDC-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?

The IUPAC name of 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 663547) is 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide.

What is the SMILES notation for 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?

The canonical SMILES for 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide is CC(C)C(=O)Nc1nnc(CCc2nnc(NC(=O)C(C)C)s2)s1.

What is the InChIKey of 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?

The InChIKey is PZKCPYPRBWLMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S2/c1-7(2)11(21)15-13-19-17-9(23-13)5-6-10-18-20-14(24-10)16-12(22)8(3)4/h7-8H,5-6H2,1-4H3,(H,15,19,21)(H,16,20,22).

What are the key properties of 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide?

2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 368.49 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[2-[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 663547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).