N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

C18H23N3O3S3 — CID 6131526

About N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide

N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide (PubChem CID 6131526) has the molecular formula C18H23N3O3S3 and a molecular weight of 425.60 g/mol. Its IUPAC name is N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide.

Molecular Properties

• Compound Name: N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
• PubChem CID: 6131526
• Molecular Formula: C18H23N3O3S3
• Molecular Weight: 425.60 g/mol
• Exact Mass: 425.09
• IUPAC Name: N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide
• SMILES: O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NN1CCOCC1
• InChI: InChI=1S/C18H23N3O3S3/c22-16(19-20-8-10-24-11-9-20)6-2-1-3-7-21-17(23)15(27-18(21)25)13-14-5-4-12-26-14/h4-5,12-13H,1-3,6-11H2,(H,19,22)/b15-13-
• InChIKey: SMUSFPJFALMMCP-SQFISAMPSA-N
• XLogP: 2.87
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.60
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

The IUPAC name of N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide (CID 6131526) is N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide.

What is the SMILES notation for N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

The canonical SMILES for N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)NN1CCOCC1.

What is the InChIKey of N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

The InChIKey is SMUSFPJFALMMCP-SQFISAMPSA-N. The full InChI is InChI=1S/C18H23N3O3S3/c22-16(19-20-8-10-24-11-9-20)6-2-1-3-7-21-17(23)15(27-18(21)25)13-14-5-4-12-26-14/h4-5,12-13H,1-3,6-11H2,(H,19,22)/b15-13-.

What are the key properties of N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide?

N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide has a molecular weight of 425.60 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-morpholin-4-yl-6-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]hexanamide is sourced from PubChem (CID 6131526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).