carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)

C21H25N7O2SU — CID 163729378

About carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)

carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+) (PubChem CID 163729378) has the molecular formula C21H25N7O2SU and a molecular weight of 677.57 g/mol. Its IUPAC name is carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+).

Molecular Properties

• Compound Name: carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)
• PubChem CID: 163729378
• Molecular Formula: C21H25N7O2SU
• Molecular Weight: 677.57 g/mol
• Exact Mass: 677.23
• IUPAC Name: carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)
• SMILES: COC(C(=O)Nc1nnc(N[C@@H]2CCN(c3cc(C)cnn3)C2)s1)c1cc[c-]cc1.[CH3-].[U+2]
• InChI: InChI=1S/C20H22N7O2S.CH3.U/c1-13-10-16(24-21-11-13)27-9-8-15(12-27)22-19-25-26-20(30-19)23-18(28)17(29-2)14-6-4-3-5-7-14;;/h4-7,10-11,15,17H,8-9,12H2,1-2H3,(H,22,25)(H,23,26,28);1H3;/q2*-1;+2/t15-,17?;;/m1../s1
• InChIKey: MHBJHTHIEOCIPD-HMWSMTLBSA-N
• XLogP: 2.90
• TPSA: 105.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	677.57
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)?

The IUPAC name of carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+) (CID 163729378) is carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+).

What is the SMILES notation for carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)?

The canonical SMILES for carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+) is COC(C(=O)Nc1nnc(N[C@@H]2CCN(c3cc(C)cnn3)C2)s1)c1cc[c-]cc1.[CH3-].[U+2].

What is the InChIKey of carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)?

The InChIKey is MHBJHTHIEOCIPD-HMWSMTLBSA-N. The full InChI is InChI=1S/C20H22N7O2S.CH3.U/c1-13-10-16(24-21-11-13)27-9-8-15(12-27)22-19-25-26-20(30-19)23-18(28)17(29-2)14-6-4-3-5-7-14;;/h4-7,10-11,15,17H,8-9,12H2,1-2H3,(H,22,25)(H,23,26,28);1H3;/q2*-1;+2/t15-,17?;;/m1../s1.

What are the key properties of carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+)?

carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+) has a molecular weight of 677.57 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-methoxy-N-[5-[[(3R)-1-(5-methylpyridazin-3-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide;uranium(2+) is sourced from PubChem (CID 163729378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).