formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde

C36H50N8O4S2 — CID 144630810

About formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde

formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde (PubChem CID 144630810) has the molecular formula C36H50N8O4S2 and a molecular weight of 722.98 g/mol. Its IUPAC name is formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde.

Molecular Properties

• Compound Name: formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde
• PubChem CID: 144630810
• Molecular Formula: C36H50N8O4S2
• Molecular Weight: 722.98 g/mol
• Exact Mass: 722.34
• IUPAC Name: formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde
• SMILES: C=O.CN.CNc1nnc([C@H]2CCCC(c3nnc(Cc4cccc(N5CCOCC5)c4)s3)C2)s1.O=CCc1cccc(N2CCOCC2)c1
• InChI: InChI=1S/C22H28N6OS2.C12H15NO2.CH5N.CH2O/c1-23-22-27-26-21(31-22)17-6-3-5-16(14-17)20-25-24-19(30-20)13-15-4-2-7-18(12-15)28-8-10-29-11-9-28;14-7-4-11-2-1-3-12(10-11)13-5-8-15-9-6-13;2*1-2/h2,4,7,12,16-17H,3,5-6,8-11,13-14H2,1H3,(H,23,27);1-3,7,10H,4-6,8-9H2;2H2,1H3;1H2/t16?,17-;;;/m0.../s1
• InChIKey: YXTOUHUDBQYHGR-BFGIDXLGSA-N
• XLogP: 4.95
• TPSA: 148.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.98
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde?

The IUPAC name of formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde (CID 144630810) is formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde.

What is the SMILES notation for formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde?

The canonical SMILES for formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde is C=O.CN.CNc1nnc([C@H]2CCCC(c3nnc(Cc4cccc(N5CCOCC5)c4)s3)C2)s1.O=CCc1cccc(N2CCOCC2)c1.

What is the InChIKey of formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde?

The InChIKey is YXTOUHUDBQYHGR-BFGIDXLGSA-N. The full InChI is InChI=1S/C22H28N6OS2.C12H15NO2.CH5N.CH2O/c1-23-22-27-26-21(31-22)17-6-3-5-16(14-17)20-25-24-19(30-20)13-15-4-2-7-18(12-15)28-8-10-29-11-9-28;14-7-4-11-2-1-3-12(10-11)13-5-8-15-9-6-13;2*1-2/h2,4,7,12,16-17H,3,5-6,8-11,13-14H2,1H3,(H,23,27);1-3,7,10H,4-6,8-9H2;2H2,1H3;1H2/t16?,17-;;;/m0.../s1.

What are the key properties of formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde?

formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde has a molecular weight of 722.98 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;methanamine;N-methyl-5-[(1S)-3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine;2-(3-morpholin-4-ylphenyl)acetaldehyde is sourced from PubChem (CID 144630810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).