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

C24H31N7OSSi — CID 90287795

IUPAC2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
SMILESCC(C)c1nnc(N(COCC[Si](C)(C)C)c2ccc3nccc(Nc4ccncc4)c3n2)s1
InChIInChI=1S/C24H31N7OSSi/c1-17(2)23-29-30-24(33-23)31(16-32-14-15-34(3,4)5)21-7-6-19-22(28-21)20(10-13-26-19)27-18-8-11-25-12-9-18/h6-13,17H,14-16H2,1-5H3,(H,25,26,27)
InChIKeyTUQSIKQXBCVFKJ-UHFFFAOYSA-N
MW493.71 g/mol
LogP6.19
Rot. Bonds10

About 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-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-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine (PubChem CID 90287795) has the molecular formula C24H31N7OSSi and a molecular weight of 493.71 g/mol. Its IUPAC name is 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-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-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
PubChem CID90287795
Molecular FormulaC24H31N7OSSi
Molecular Weight493.71 g/mol
Exact Mass493.21
IUPAC Name2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine
SMILESCC(C)c1nnc(N(COCC[Si](C)(C)C)c2ccc3nccc(Nc4ccncc4)c3n2)s1
InChIInChI=1S/C24H31N7OSSi/c1-17(2)23-29-30-24(33-23)31(16-32-14-15-34(3,4)5)21-7-6-19-22(28-21)20(10-13-26-19)27-18-8-11-25-12-9-18/h6-13,17H,14-16H2,1-5H3,(H,25,26,27)
InChIKeyTUQSIKQXBCVFKJ-UHFFFAOYSA-N
XLogP6.19
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.71
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-pyridin-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-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine (CID 90287795) is 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-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-pyridin-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-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine is CC(C)c1nnc(N(COCC[Si](C)(C)C)c2ccc3nccc(Nc4ccncc4)c3n2)s1.
What is the InChIKey of 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine?
The InChIKey is TUQSIKQXBCVFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OSSi/c1-17(2)23-29-30-24(33-23)31(16-32-14-15-34(3,4)5)21-7-6-19-22(28-21)20(10-13-26-19)27-18-8-11-25-12-9-18/h6-13,17H,14-16H2,1-5H3,(H,25,26,27).
What are the key properties of 2-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-8-N-pyridin-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-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine has a molecular weight of 493.71 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 9 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-pyridin-4-yl-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,8-diamine is sourced from PubChem (CID 90287795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).