N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine

C25H37N7O2SSi — CID 160775920

IUPACN-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCOC(N)=C(/C=N/C)c1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C(C)C)s3)nc2c1
InChIInChI=1S/C25H37N7O2SSi/c1-8-34-23(26)19(15-27-4)18-13-21-20(28-14-18)9-10-22(29-21)32(16-33-11-12-36(5,6)7)25-31-30-24(35-25)17(2)3/h9-10,13-15,17H,8,11-12,16,26H2,1-7H3/b23-19?,27-15+
InChIKeyOWAMPVJIQKVAJU-ACXOAGICSA-N
MW527.77 g/mol
LogP5.42
Rot. Bonds12

About N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine

N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 160775920) has the molecular formula C25H37N7O2SSi and a molecular weight of 527.77 g/mol. Its IUPAC name is N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID160775920
Molecular FormulaC25H37N7O2SSi
Molecular Weight527.77 g/mol
Exact Mass527.25
IUPAC NameN-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCOC(N)=C(/C=N/C)c1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C(C)C)s3)nc2c1
InChIInChI=1S/C25H37N7O2SSi/c1-8-34-23(26)19(15-27-4)18-13-21-20(28-14-18)9-10-22(29-21)32(16-33-11-12-36(5,6)7)25-31-30-24(35-25)17(2)3/h9-10,13-15,17H,8,11-12,16,26H2,1-7H3/b23-19?,27-15+
InChIKeyOWAMPVJIQKVAJU-ACXOAGICSA-N
XLogP5.42
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.77
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 160775920) is N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine is CCOC(N)=C(/C=N/C)c1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C(C)C)s3)nc2c1.
What is the InChIKey of N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OWAMPVJIQKVAJU-ACXOAGICSA-N. The full InChI is InChI=1S/C25H37N7O2SSi/c1-8-34-23(26)19(15-27-4)18-13-21-20(28-14-18)9-10-22(29-21)32(16-33-11-12-36(5,6)7)25-31-30-24(35-25)17(2)3/h9-10,13-15,17H,8,11-12,16,26H2,1-7H3/b23-19?,27-15+.
What are the key properties of N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine?
N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 527.77 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-amino-1-ethoxy-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-propan-2-yl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 160775920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).