(2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

C26H32N6O2S — CID 136596688

About (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 136596688) has the molecular formula C26H32N6O2S and a molecular weight of 492.65 g/mol. Its IUPAC name is (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
• PubChem CID: 136596688
• Molecular Formula: C26H32N6O2S
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.23
• IUPAC Name: (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
• SMILES: C=C(/N=C/C=C(\N)c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C)C1(c2ccccc2)CCCC1
• InChI: InChI=1S/C26H32N6O2S/c1-17-22(35-24(30-17)31-25(34)32-16-8-11-21(32)23(28)33)20(27)12-15-29-18(2)26(13-6-7-14-26)19-9-4-3-5-10-19/h3-5,9-10,12,15,21H,2,6-8,11,13-14,16,27H2,1H3,(H2,28,33)(H,30,31,34)/b20-12-,29-15+/t21-/m0/s1
• InChIKey: ZIJUJUQHMNFBTL-IYFQHEDFSA-N
• XLogP: 4.33
• TPSA: 126.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?

The IUPAC name of (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide (CID 136596688) is (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?

The canonical SMILES for (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is C=C(/N=C/C=C(\N)c1sc(NC(=O)N2CCC[C@H]2C(N)=O)nc1C)C1(c2ccccc2)CCCC1.

What is the InChIKey of (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?

The InChIKey is ZIJUJUQHMNFBTL-IYFQHEDFSA-N. The full InChI is InChI=1S/C26H32N6O2S/c1-17-22(35-24(30-17)31-25(34)32-16-8-11-21(32)23(28)33)20(27)12-15-29-18(2)26(13-6-7-14-26)19-9-4-3-5-10-19/h3-5,9-10,12,15,21H,2,6-8,11,13-14,16,27H2,1H3,(H2,28,33)(H,30,31,34)/b20-12-,29-15+/t21-/m0/s1.

What are the key properties of (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide?

(2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-N-[5-[(Z)-1-amino-3-[1-(1-phenylcyclopentyl)ethenylimino]prop-1-enyl]-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 136596688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).