4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

C24H33N5O4S — CID 118491915

IUPAC4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCCO/N=C1\CCCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21
InChIInChI=1S/C24H33N5O4S/c1-2-33-27-23-8-6-7-19-17-21(9-10-22(19)23)32-16-5-3-4-13-28-14-15-29(34(28,30)31)20-11-12-26-24(25)18-20/h9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26)/b27-23+
InChIKeyGPEDDIJEABHHFF-SLEBQGDGSA-N
MW487.63 g/mol
LogP3.36
Rot. Bonds10

About 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine

4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (PubChem CID 118491915) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
PubChem CID118491915
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC Name4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
SMILESCCO/N=C1\CCCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21
InChIInChI=1S/C24H33N5O4S/c1-2-33-27-23-8-6-7-19-17-21(9-10-22(19)23)32-16-5-3-4-13-28-14-15-29(34(28,30)31)20-11-12-26-24(25)18-20/h9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26)/b27-23+
InChIKeyGPEDDIJEABHHFF-SLEBQGDGSA-N
XLogP3.36
TPSA110.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine with MolForge

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Related Compounds

4-[5-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491864
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 91799322
1-(2-Amino-4-pyridinyl)-3-[5-[4-[(ethoxyamino)methyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155535387
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
CID 155536334
4-[5-[5-[4-[(E)-N-ethoxy-C-ethylcarbonimidoyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491889
4-[5-[5-[[(1E)-1-ethoxyimino-2,3-dihydroinden-5-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118491902
4-[5-[5-[4-(4-Chlorophenyl)phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 118492119
1-[5-[4-[(E)-N-ethoxy-C-propylcarbonimidoyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 44394914
4-[5-[5-[4-[(E)-N-ethoxy-C-methylcarbonimidoyl]phenoxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine
CID 145972385
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155523228
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-hydroxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 155526876
1-(2-amino-4-pyridinyl)-3-[4-[4-[(E)-ethoxyiminomethyl]phenoxy]but-2-ynyl]imidazolidin-2-one
CID 155552985

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The IUPAC name of 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine (CID 118491915) is 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is CCO/N=C1\CCCc2cc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)ccc21.
What is the InChIKey of 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
The InChIKey is GPEDDIJEABHHFF-SLEBQGDGSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-2-33-27-23-8-6-7-19-17-21(9-10-22(19)23)32-16-5-3-4-13-28-14-15-29(34(28,30)31)20-11-12-26-24(25)18-20/h9-12,17-18H,2-8,13-16H2,1H3,(H2,25,26)/b27-23+.
What are the key properties of 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine?
4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine has a molecular weight of 487.63 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[[(5E)-5-ethoxyimino-7,8-dihydro-6H-naphthalen-2-yl]oxy]pentyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 118491915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).