N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C47H65BrN10O2S2Si3 — CID 159000254

About N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 159000254) has the molecular formula C47H65BrN10O2S2Si3 and a molecular weight of 1030.40 g/mol. Its IUPAC name is N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 159000254
• Molecular Formula: C47H65BrN10O2S2Si3
• Molecular Weight: 1030.40 g/mol
• Exact Mass: 1028.32
• IUPAC Name: N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
• SMILES: C[Si](C)(C)C#Cc1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C4CCCC4)s3)nc2c1.C[Si](C)(C)CCOCN(c1ccc2ncc(Br)cc2n1)c1nnc(C2CCCC2)s1
• InChI: InChI=1S/C26H37N5OSSi2.C21H28BrN5OSSi/c1-34(2,3)15-13-20-17-23-22(27-18-20)11-12-24(28-23)31(19-32-14-16-35(4,5)6)26-30-29-25(33-26)21-9-7-8-10-21;1-30(2,3)11-10-28-14-27(21-26-25-20(29-21)15-6-4-5-7-15)19-9-8-17-18(24-19)12-16(22)13-23-17/h11-12,17-18,21H,7-10,14,16,19H2,1-6H3;8-9,12-13,15H,4-7,10-11,14H2,1-3H3
• InChIKey: JRGHUCKHPIEGNR-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 128.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1030.40
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 159000254) is N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is C[Si](C)(C)C#Cc1cnc2ccc(N(COCC[Si](C)(C)C)c3nnc(C4CCCC4)s3)nc2c1.C[Si](C)(C)CCOCN(c1ccc2ncc(Br)cc2n1)c1nnc(C2CCCC2)s1.

What is the InChIKey of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

The InChIKey is JRGHUCKHPIEGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5OSSi2.C21H28BrN5OSSi/c1-34(2,3)15-13-20-17-23-22(27-18-20)11-12-24(28-23)31(19-32-14-16-35(4,5)6)26-30-29-25(33-26)21-9-7-8-10-21;1-30(2,3)11-10-28-14-27(21-26-25-20(29-21)15-6-4-5-7-15)19-9-8-17-18(24-19)12-16(22)13-23-17/h11-12,17-18,21H,7-10,14,16,19H2,1-6H3;8-9,12-13,15H,4-7,10-11,14H2,1-3H3.

What are the key properties of N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 1030.40 g/mol, XLogP of 13.17, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-bromo-1,5-naphthyridin-2-yl)-5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-cyclopentyl-N-(2-trimethylsilylethoxymethyl)-N-[7-(2-trimethylsilylethynyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 159000254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).