N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide

C15H19N5O3S — CID 164632916

About N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide

N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 164632916) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

• Compound Name: N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
• PubChem CID: 164632916
• Molecular Formula: C15H19N5O3S
• Molecular Weight: 349.42 g/mol
• Exact Mass: 349.12
• IUPAC Name: N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide
• SMILES: COC[C@@H](c1ccccn1)N(C)C(=O)CCC(=O)Nc1nncs1
• InChI: InChI=1S/C15H19N5O3S/c1-20(12(9-23-2)11-5-3-4-8-16-11)14(22)7-6-13(21)18-15-19-17-10-24-15/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,18,19,21)/t12-/m0/s1
• InChIKey: AJSIZPQIBFTZKR-LBPRGKRZSA-N
• XLogP: 1.50
• TPSA: 97.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.42
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?

The IUPAC name of N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide (CID 164632916) is N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide.

What is the SMILES notation for N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?

The canonical SMILES for N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide is COC[C@@H](c1ccccn1)N(C)C(=O)CCC(=O)Nc1nncs1.

What is the InChIKey of N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?

The InChIKey is AJSIZPQIBFTZKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-20(12(9-23-2)11-5-3-4-8-16-11)14(22)7-6-13(21)18-15-19-17-10-24-15/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,18,19,21)/t12-/m0/s1.

What are the key properties of N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide?

N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 349.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N'-methyl-N-(1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 164632916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).