N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C28H23N5O5S — CID 6040613

About N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 6040613) has the molecular formula C28H23N5O5S and a molecular weight of 541.59 g/mol. Its IUPAC name is N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
• PubChem CID: 6040613
• Molecular Formula: C28H23N5O5S
• Molecular Weight: 541.59 g/mol
• Exact Mass: 541.14
• IUPAC Name: N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
• SMILES: COc1cc(/C=N\NC(=O)Cc2nnc(NC(=O)c3ccco3)s2)ccc1OCc1cccc2ccccc12
• InChI: InChI=1S/C28H23N5O5S/c1-36-24-14-18(11-12-22(24)38-17-20-8-4-7-19-6-2-3-9-21(19)20)16-29-31-25(34)15-26-32-33-28(39-26)30-27(35)23-10-5-13-37-23/h2-14,16H,15,17H2,1H3,(H,31,34)(H,30,33,35)/b29-16-
• InChIKey: HNBSWBAVMAQYOZ-MWLSYYOVSA-N
• XLogP: 4.82
• TPSA: 127.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.59
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 6040613) is N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is COc1cc(/C=N\NC(=O)Cc2nnc(NC(=O)c3ccco3)s2)ccc1OCc1cccc2ccccc12.

What is the InChIKey of N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?

The InChIKey is HNBSWBAVMAQYOZ-MWLSYYOVSA-N. The full InChI is InChI=1S/C28H23N5O5S/c1-36-24-14-18(11-12-22(24)38-17-20-8-4-7-19-6-2-3-9-21(19)20)16-29-31-25(34)15-26-32-33-28(39-26)30-27(35)23-10-5-13-37-23/h2-14,16H,15,17H2,1H3,(H,31,34)(H,30,33,35)/b29-16-.

What are the key properties of N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?

N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 541.59 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[(2Z)-2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 6040613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).