7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine

C39H39Br3ClN15OS3Si — CID 159461524

About 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine

7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 159461524) has the molecular formula C39H39Br3ClN15OS3Si and a molecular weight of 1133.30 g/mol. Its IUPAC name is 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine
• PubChem CID: 159461524
• Molecular Formula: C39H39Br3ClN15OS3Si
• Molecular Weight: 1133.30 g/mol
• Exact Mass: 1128.96
• IUPAC Name: 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine
• SMILES: Cc1nnc(N(COCC[Si](C)(C)C)c2ccc3ncc(Br)cc3n2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccc3ncc(Br)cc3n2)s1.Clc1ccc2ncc(Br)cc2n1
• InChI: InChI=1S/C17H22BrN5OSSi.C11H8BrN5S.C8H4BrClN2.C3H5N3S/c1-12-21-22-17(25-12)23(11-24-7-8-26(2,3)4)16-6-5-14-15(20-16)9-13(18)10-19-14;1-6-16-17-11(18-6)15-10-3-2-8-9(14-10)4-7(12)5-13-8;9-5-3-7-6(11-4-5)1-2-8(10)12-7;1-2-5-6-3(4)7-2/h5-6,9-10H,7-8,11H2,1-4H3;2-5H,1H3,(H,14,15,17);1-4H;1H3,(H2,4,6)
• InChIKey: LUQOLCZTIPFEGA-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 205.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.30
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

The IUPAC name of 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine (CID 159461524) is 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(COCC[Si](C)(C)C)c2ccc3ncc(Br)cc3n2)s1.Cc1nnc(N)s1.Cc1nnc(Nc2ccc3ncc(Br)cc3n2)s1.Clc1ccc2ncc(Br)cc2n1.

What is the InChIKey of 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

The InChIKey is LUQOLCZTIPFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5OSSi.C11H8BrN5S.C8H4BrClN2.C3H5N3S/c1-12-21-22-17(25-12)23(11-24-7-8-26(2,3)4)16-6-5-14-15(20-16)9-13(18)10-19-14;1-6-16-17-11(18-6)15-10-3-2-8-9(14-10)4-7(12)5-13-8;9-5-3-7-6(11-4-5)1-2-8(10)12-7;1-2-5-6-3(4)7-2/h5-6,9-10H,7-8,11H2,1-4H3;2-5H,1H3,(H,14,15,17);1-4H;1H3,(H2,4,6).

What are the key properties of 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine?

7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 1133.30 g/mol, XLogP of 11.77, 9 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-chloro-1,5-naphthyridine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 159461524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).