N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide

C19H30N4O4S — CID 11589632

About N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide

N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide (PubChem CID 11589632) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide
• PubChem CID: 11589632
• Molecular Formula: C19H30N4O4S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.20
• IUPAC Name: N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide
• SMILES: C[C@H]1CS/C(=N\NC(=O)C(=O)[C@@H](NC(=O)C2CCCC2)C2CCOCC2)N1C
• InChI: InChI=1S/C19H30N4O4S/c1-12-11-28-19(23(12)2)22-21-18(26)16(24)15(13-7-9-27-10-8-13)20-17(25)14-5-3-4-6-14/h12-15H,3-11H2,1-2H3,(H,20,25)(H,21,26)/b22-19-/t12-,15-/m0/s1
• InChIKey: UYJSQUIDWDSWOH-SOCFQRGQSA-N
• XLogP: 1.11
• TPSA: 100.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide?

The IUPAC name of N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide (CID 11589632) is N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide?

The canonical SMILES for N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide is C[C@H]1CS/C(=N\NC(=O)C(=O)[C@@H](NC(=O)C2CCCC2)C2CCOCC2)N1C.

What is the InChIKey of N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide?

The InChIKey is UYJSQUIDWDSWOH-SOCFQRGQSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-12-11-28-19(23(12)2)22-21-18(26)16(24)15(13-7-9-27-10-8-13)20-17(25)14-5-3-4-6-14/h12-15H,3-11H2,1-2H3,(H,20,25)(H,21,26)/b22-19-/t12-,15-/m0/s1.

What are the key properties of N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide?

N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide has a molecular weight of 410.54 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-[(2Z)-2-[(4S)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazinyl]-1-(oxan-4-yl)-2,3-dioxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 11589632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).