N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen

C18H22N6O5S — CID 171819155

About N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen

N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen (PubChem CID 171819155) has the molecular formula C18H22N6O5S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen
• PubChem CID: 171819155
• Molecular Formula: C18H22N6O5S
• Molecular Weight: 434.48 g/mol
• Exact Mass: 434.14
• IUPAC Name: N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen
• SMILES: COc1c(N2CCCCC2=O)cc(C(=O)Nc2nnc(/N=C(C)/C=C\N)s2)oc1=O.[H][H]
• InChI: InChI=1S/C18H20N6O5S.H2/c1-10(6-7-19)20-17-22-23-18(30-17)21-15(26)12-9-11(14(28-2)16(27)29-12)24-8-4-3-5-13(24)25;/h6-7,9H,3-5,8,19H2,1-2H3,(H,21,23,26);1H/b7-6-,20-10+
• InChIKey: GMXHJXKKEXOUJQ-ZEUUWTPQSA-N
• XLogP: 2.08
• TPSA: 153.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen?

The IUPAC name of N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen (CID 171819155) is N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen?

The canonical SMILES for N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen is COc1c(N2CCCCC2=O)cc(C(=O)Nc2nnc(/N=C(C)/C=C\N)s2)oc1=O.[H][H].

What is the InChIKey of N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen?

The InChIKey is GMXHJXKKEXOUJQ-ZEUUWTPQSA-N. The full InChI is InChI=1S/C18H20N6O5S.H2/c1-10(6-7-19)20-17-22-23-18(30-17)21-15(26)12-9-11(14(28-2)16(27)29-12)24-8-4-3-5-13(24)25;/h6-7,9H,3-5,8,19H2,1-2H3,(H,21,23,26);1H/b7-6-,20-10+;.

What are the key properties of N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen?

N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen has a molecular weight of 434.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(E)-[(Z)-4-aminobut-3-en-2-ylidene]amino]-1,3,4-thiadiazol-2-yl]-5-methoxy-6-oxo-4-(2-oxopiperidin-1-yl)pyran-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 171819155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).