5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C16H20N4O3S — CID 92868083

About 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92868083) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 92868083
• Molecular Formula: C16H20N4O3S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.13
• IUPAC Name: 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• SMILES: CC[C@@H](C)NC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1
• InChI: InChI=1S/C16H20N4O3S/c1-3-11(2)17-13(21)9-23-10-14-19-20-16(24-14)15(22)18-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,21)(H,18,22)/t11-/m1/s1
• InChIKey: DGJQKHAUBMUPFK-LLVKDONJSA-N
• XLogP: 2.22
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 92868083) is 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is CC[C@@H](C)NC(=O)COCc1nnc(C(=O)Nc2ccccc2)s1.

What is the InChIKey of 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is DGJQKHAUBMUPFK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-3-11(2)17-13(21)9-23-10-14-19-20-16(24-14)15(22)18-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,17,21)(H,18,22)/t11-/m1/s1.

What are the key properties of 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92868083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).