3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine

C26H30N4O3S2 — CID 23761600

About 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine

3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (PubChem CID 23761600) has the molecular formula C26H30N4O3S2 and a molecular weight of 510.69 g/mol. Its IUPAC name is 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
• PubChem CID: 23761600
• Molecular Formula: C26H30N4O3S2
• Molecular Weight: 510.69 g/mol
• Exact Mass: 510.18
• IUPAC Name: 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
• SMILES: Cc1ccc(-c2cs/c(=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2N=C2CCCC2)cc1C
• InChI: InChI=1S/C26H30N4O3S2/c1-19-7-8-21(17-20(19)2)25-18-34-26(30(25)28-23-5-3-4-6-23)27-22-9-11-24(12-10-22)35(31,32)29-13-15-33-16-14-29/h7-12,17-18H,3-6,13-16H2,1-2H3/b27-26+
• InChIKey: PTKHDDXMVOXWKY-CYYJNZCTSA-N
• XLogP: 4.86
• TPSA: 76.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.69
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?

The IUPAC name of 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (CID 23761600) is 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

What is the SMILES notation for 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?

The canonical SMILES for 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is Cc1ccc(-c2cs/c(=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2N=C2CCCC2)cc1C.

What is the InChIKey of 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?

The InChIKey is PTKHDDXMVOXWKY-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H30N4O3S2/c1-19-7-8-21(17-20(19)2)25-18-34-26(30(25)28-23-5-3-4-6-23)27-22-9-11-24(12-10-22)35(31,32)29-13-15-33-16-14-29/h7-12,17-18H,3-6,13-16H2,1-2H3/b27-26+.

What are the key properties of 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?

3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine has a molecular weight of 510.69 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopentylideneamino)-4-(3,4-dimethylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23761600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).