5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide

C24H26N6O6S — CID 171818925

About 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide

5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide (PubChem CID 171818925) has the molecular formula C24H26N6O6S and a molecular weight of 526.58 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide
• PubChem CID: 171818925
• Molecular Formula: C24H26N6O6S
• Molecular Weight: 526.58 g/mol
• Exact Mass: 526.16
• IUPAC Name: 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide
• SMILES: COCCOc1c(N[C@@H](COC)c2ccccc2)cc(C(=O)Nc2nnc(-n3nccc3C)s2)oc1=O
• InChI: InChI=1S/C24H26N6O6S/c1-15-9-10-25-30(15)24-29-28-23(37-24)27-21(31)19-13-17(20(22(32)36-19)35-12-11-33-2)26-18(14-34-3)16-7-5-4-6-8-16/h4-10,13,18,26H,11-12,14H2,1-3H3,(H,27,28,31)/t18-/m0/s1
• InChIKey: KDFBAJOOUOLFSP-SFHVURJKSA-N
• XLogP: 3.06
• TPSA: 142.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.58
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide?

The IUPAC name of 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide (CID 171818925) is 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide.

What is the SMILES notation for 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide?

The canonical SMILES for 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide is COCCOc1c(N[C@@H](COC)c2ccccc2)cc(C(=O)Nc2nnc(-n3nccc3C)s2)oc1=O.

What is the InChIKey of 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide?

The InChIKey is KDFBAJOOUOLFSP-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N6O6S/c1-15-9-10-25-30(15)24-29-28-23(37-24)27-21(31)19-13-17(20(22(32)36-19)35-12-11-33-2)26-18(14-34-3)16-7-5-4-6-8-16/h4-10,13,18,26H,11-12,14H2,1-3H3,(H,27,28,31)/t18-/m0/s1.

What are the key properties of 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide?

5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide has a molecular weight of 526.58 g/mol, XLogP of 3.06, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methoxyethoxy)-4-[[(1R)-2-methoxy-1-phenylethyl]amino]-N-[5-(5-methylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-6-oxopyran-2-carboxamide is sourced from PubChem (CID 171818925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).