(Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium

C23H30N5OSU- — CID 170582515

About (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium

(Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium (PubChem CID 170582515) has the molecular formula C23H30N5OSU- and a molecular weight of 662.62 g/mol. Its IUPAC name is (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium.

Molecular Properties

• Compound Name: (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium
• PubChem CID: 170582515
• Molecular Formula: C23H30N5OSU-
• Molecular Weight: 662.62 g/mol
• Exact Mass: 662.27
• IUPAC Name: (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium
• SMILES: [CH2-]C(=O)/C(N)=C/N(N)C(C(=C1CC1)N1CCCC1c1nc2ccccc2s1)C(C)C.[U]
• InChI: InChI=1S/C23H30N5OS.U/c1-14(2)21(28(25)13-17(24)15(3)29)22(16-10-11-16)27-12-6-8-19(27)23-26-18-7-4-5-9-20(18)30-23;/h4-5,7,9,13-14,19,21H,3,6,8,10-12,24-25H2,1-2H3;/q-1;/b17-13-
• InChIKey: RVCWFYWWJWZUSL-VSORCOHTSA-N
• XLogP: 3.88
• TPSA: 88.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	662.62
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium?

The IUPAC name of (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium (CID 170582515) is (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium.

What is the SMILES notation for (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium?

The canonical SMILES for (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium is [CH2-]C(=O)/C(N)=C/N(N)C(C(=C1CC1)N1CCCC1c1nc2ccccc2s1)C(C)C.[U].

What is the InChIKey of (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium?

The InChIKey is RVCWFYWWJWZUSL-VSORCOHTSA-N. The full InChI is InChI=1S/C23H30N5OS.U/c1-14(2)21(28(25)13-17(24)15(3)29)22(16-10-11-16)27-12-6-8-19(27)23-26-18-7-4-5-9-20(18)30-23;/h4-5,7,9,13-14,19,21H,3,6,8,10-12,24-25H2,1-2H3;/q-1;/b17-13-;.

What are the key properties of (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium?

(Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium has a molecular weight of 662.62 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-amino-4-[amino-[1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclopropylidene-3-methylbutan-2-yl]amino]but-3-en-2-one;uranium is sourced from PubChem (CID 170582515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).