5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile

C15H16N4O3S2 — CID 6372165

About 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile

5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile (PubChem CID 6372165) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 6372165
• Molecular Formula: C15H16N4O3S2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.07
• IUPAC Name: 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
• SMILES: CC1CN(c2oc(/C=C3\SC(=S)N(C)C3=O)nc2C#N)CC(C)O1
• InChI: InChI=1S/C15H16N4O3S2/c1-8-6-19(7-9(2)21-8)14-10(5-16)17-12(22-14)4-11-13(20)18(3)15(23)24-11/h4,8-9H,6-7H2,1-3H3/b11-4-
• InChIKey: CNRGORLNIYSURE-WCIBSUBMSA-N
• XLogP: 1.99
• TPSA: 82.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', '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 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile?

The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile (CID 6372165) is 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile is CC1CN(c2oc(/C=C3\SC(=S)N(C)C3=O)nc2C#N)CC(C)O1.

What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile?

The InChIKey is CNRGORLNIYSURE-WCIBSUBMSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c1-8-6-19(7-9(2)21-8)14-10(5-16)17-12(22-14)4-11-13(20)18(3)15(23)24-11/h4,8-9H,6-7H2,1-3H3/b11-4-.

What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile?

5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-dimethylmorpholin-4-yl)-2-[(Z)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 6372165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).