2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine

C23H30N8OSSi — CID 90287793

IUPAC2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
SMILESCC(C)c1nnc(N(COCC[Si](C)(C)C)c2ccc3nccc(Nc4ccnnc4)c3n2)s1
InChIInChI=1S/C23H30N8OSSi/c1-16(2)22-29-30-23(33-22)31(15-32-12-13-34(3,4)5)20-7-6-18-21(28-20)19(9-10-24-18)27-17-8-11-25-26-14-17/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,25,27)
InChIKeyLTOASKDATMUZKN-UHFFFAOYSA-N
MW494.70 g/mol
LogP5.59
Rot. Bonds10

About 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine

2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine (PubChem CID 90287793) has the molecular formula C23H30N8OSSi and a molecular weight of 494.70 g/mol. Its IUPAC name is 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine.

Molecular Properties

Compound Name2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
PubChem CID90287793
Molecular FormulaC23H30N8OSSi
Molecular Weight494.70 g/mol
Exact Mass494.20
IUPAC Name2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
SMILESCC(C)c1nnc(N(COCC[Si](C)(C)C)c2ccc3nccc(Nc4ccnnc4)c3n2)s1
InChIInChI=1S/C23H30N8OSSi/c1-16(2)22-29-30-23(33-22)31(15-32-12-13-34(3,4)5)20-7-6-18-21(28-20)19(9-10-24-18)27-17-8-11-25-26-14-17/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,25,27)
InChIKeyLTOASKDATMUZKN-UHFFFAOYSA-N
XLogP5.59
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.70
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine?
The IUPAC name of 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine (CID 90287793) is 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine.
What is the SMILES notation for 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine?
The canonical SMILES for 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine is CC(C)c1nnc(N(COCC[Si](C)(C)C)c2ccc3nccc(Nc4ccnnc4)c3n2)s1.
What is the InChIKey of 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine?
The InChIKey is LTOASKDATMUZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8OSSi/c1-16(2)22-29-30-23(33-22)31(15-32-12-13-34(3,4)5)20-7-6-18-21(28-20)19(9-10-24-18)27-17-8-11-25-26-14-17/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,25,27).
What are the key properties of 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine?
2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine has a molecular weight of 494.70 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridazin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine is sourced from PubChem (CID 90287793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).