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

C24H24Cl2N4O3S2 — CID 23989036

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

3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (PubChem CID 23989036) has the molecular formula C24H24Cl2N4O3S2 and a molecular weight of 551.52 g/mol. Its IUPAC name is 3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
• PubChem CID: 23989036
• Molecular Formula: C24H24Cl2N4O3S2
• Molecular Weight: 551.52 g/mol
• Exact Mass: 550.07
• IUPAC Name: 3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
• SMILES: O=S(=O)(c1ccc(/N=c2/scc(-c3ccc(Cl)c(Cl)c3)n2N=C2CCCC2)cc1)N1CCOCC1
• InChI: InChI=1S/C24H24Cl2N4O3S2/c25-21-10-5-17(15-22(21)26)23-16-34-24(30(23)28-19-3-1-2-4-19)27-18-6-8-20(9-7-18)35(31,32)29-11-13-33-14-12-29/h5-10,15-16H,1-4,11-14H2/b27-24+
• InChIKey: SUKNLTWZZJYARL-SOYKGTTHSA-N
• XLogP: 5.55
• TPSA: 76.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.52
LogP ≤ 5	5.55
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-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine?

The IUPAC name of 3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine (CID 23989036) is 3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine.

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

The canonical SMILES for 3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is O=S(=O)(c1ccc(/N=c2/scc(-c3ccc(Cl)c(Cl)c3)n2N=C2CCCC2)cc1)N1CCOCC1.

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

The InChIKey is SUKNLTWZZJYARL-SOYKGTTHSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3S2/c25-21-10-5-17(15-22(21)26)23-16-34-24(30(23)28-19-3-1-2-4-19)27-18-6-8-20(9-7-18)35(31,32)29-11-13-33-14-12-29/h5-10,15-16H,1-4,11-14H2/b27-24+.

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

3-(cyclopentylideneamino)-4-(3,4-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine has a molecular weight of 551.52 g/mol, XLogP of 5.55, 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-dichlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23989036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).