2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine

C24H36N6O2SSi — CID 90288150

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine
SMILESCOCCNc1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C24H36N6O2SSi/c1-31-12-11-25-19-15-21-20(26-16-19)9-10-22(27-21)30(17-32-13-14-34(2,3)4)24-29-28-23(33-24)18-7-5-6-8-18/h9-10,15-16,18,25H,5-8,11-14,17H2,1-4H3
InChIKeyXYSQCCMENHQUHN-UHFFFAOYSA-N
MW500.75 g/mol
LogP5.65
Rot. Bonds12

About 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine (PubChem CID 90288150) has the molecular formula C24H36N6O2SSi and a molecular weight of 500.75 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine
PubChem CID90288150
Molecular FormulaC24H36N6O2SSi
Molecular Weight500.75 g/mol
Exact Mass500.24
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine
SMILESCOCCNc1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C4CCCC4)s3)nc2c1
InChIInChI=1S/C24H36N6O2SSi/c1-31-12-11-25-19-15-21-20(26-16-19)9-10-22(27-21)30(17-32-13-14-34(2,3)4)24-29-28-23(33-24)18-7-5-6-8-18/h9-10,15-16,18,25H,5-8,11-14,17H2,1-4H3
InChIKeyXYSQCCMENHQUHN-UHFFFAOYSA-N
XLogP5.65
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 55.65
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-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine (CID 90288150) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine is COCCNc1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C4CCCC4)s3)nc2c1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is XYSQCCMENHQUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2SSi/c1-31-12-11-25-19-15-21-20(26-16-19)9-10-22(27-21)30(17-32-13-14-34(2,3)4)24-29-28-23(33-24)18-7-5-6-8-18/h9-10,15-16,18,25H,5-8,11-14,17H2,1-4H3.
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 500.75 g/mol, XLogP of 5.65, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(2-methoxyethyl)-2-N-(2-trimethylsilylethoxymethyl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 90288150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).