N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane

C19H24Cl2N4S — CID 145079161

About N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane

N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane (PubChem CID 145079161) has the molecular formula C19H24Cl2N4S and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane
• PubChem CID: 145079161
• Molecular Formula: C19H24Cl2N4S
• Molecular Weight: 411.40 g/mol
• Exact Mass: 410.11
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane
• SMILES: CC.Clc1ccc(C/N=C2\Nc3ncsc3NC23CCCCC3)cc1Cl
• InChI: InChI=1S/C17H18Cl2N4S.C2H6/c18-12-5-4-11(8-13(12)19)9-20-16-17(6-2-1-3-7-17)23-15-14(22-16)21-10-24-15;1-2/h4-5,8,10,23H,1-3,6-7,9H2,(H,20,22);1-2H3
• InChIKey: UEOMMJRIGBDZMI-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 49.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.40
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane (CID 145079161) is N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane is CC.Clc1ccc(C/N=C2\Nc3ncsc3NC23CCCCC3)cc1Cl.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane?

The InChIKey is UEOMMJRIGBDZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4S.C2H6/c18-12-5-4-11(8-13(12)19)9-20-16-17(6-2-1-3-7-17)23-15-14(22-16)21-10-24-15;1-2/h4-5,8,10,23H,1-3,6-7,9H2,(H,20,22);1-2H3.

What are the key properties of N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane?

N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane has a molecular weight of 411.40 g/mol, XLogP of 6.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]spiro[4,7-dihydro-[1,3]thiazolo[4,5-b]pyrazine-6,1'-cyclohexane]-5-imine;ethane is sourced from PubChem (CID 145079161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).