N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C128H168Br2N34O13S5Si4 — CID 158370088

About N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 158370088) has the molecular formula C128H168Br2N34O13S5Si4 and a molecular weight of 2823.46 g/mol. Its IUPAC name is N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 158370088
• Molecular Formula: C128H168Br2N34O13S5Si4
• Molecular Weight: 2823.46 g/mol
• Exact Mass: 2818.96
• IUPAC Name: N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4ccc(/N=c5/sc(C6CCCO6)nn5COCC[Si](C)(C)C)nc4c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4ccc(N(COCC[Si](C)(C)C)c5nnc(C6CCCO6)s5)nc4c3)cn2)CC1.C[Si](C)(C)CCOCN(c1ccc2ncc(Br)cc2n1)c1nnc(C2CCCO2)s1.C[Si](C)(C)CCOCn1nc(C2CCCO2)s/c1=N\c1ccc2ncc(Br)cc2n1.c1nc2ccc(Nc3nnc(C4CCCO4)s3)nc2cc1-c1cnn(C2CCNCC2)c1
• InChI: InChI=1S/2C33H46N8O4SSi.C22H24N8OS.2C20H26BrN5O2SSi/c1-33(2,3)45-32(42)39-13-11-25(12-14-39)41-21-24(20-35-41)23-18-27-26(34-19-23)9-10-29(36-27)40(22-43-16-17-47(4,5)6)31-38-37-30(46-31)28-8-7-15-44-28;1-33(2,3)45-32(42)39-13-11-25(12-14-39)40-21-24(20-35-40)23-18-27-26(34-19-23)9-10-29(36-27)37-31-41(22-43-16-17-47(4,5)6)38-30(46-31)28-8-7-15-44-28;1-2-19(31-9-1)21-28-29-22(32-21)27-20-4-3-17-18(26-20)10-14(11-24-17)15-12-25-30(13-15)16-5-7-23-8-6-16;1-30(2,3)10-9-27-13-26(20-25-24-19(29-20)17-5-4-8-28-17)18-7-6-15-16(23-18)11-14(21)12-22-15;1-30(2,3)10-9-27-13-26-20(29-19(25-26)17-5-4-8-28-17)24-18-7-6-15-16(23-18)11-14(21)12-22-15/h2*9-10,18-21,25,28H,7-8,11-17,22H2,1-6H3;3-4,10-13,16,19,23H,1-2,5-9H2,(H,26,27,29);2*6-7,11-12,17H,4-5,8-10,13H2,1-3H3/b;37-31+;;;24-20-
• InChIKey: GUMVKPFBSALSSZ-NHLCVNKSSA-N
• XLogP: 28.39
• TPSA: 492.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 50
• Rotatable Bonds: 39
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2823.46
LogP ≤ 5	28.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	50

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'}

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 158370088) is N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-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-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4ccc(/N=c5/sc(C6CCCO6)nn5COCC[Si](C)(C)C)nc4c3)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4ccc(N(COCC[Si](C)(C)C)c5nnc(C6CCCO6)s5)nc4c3)cn2)CC1.C[Si](C)(C)CCOCN(c1ccc2ncc(Br)cc2n1)c1nnc(C2CCCO2)s1.C[Si](C)(C)CCOCn1nc(C2CCCO2)s/c1=N\c1ccc2ncc(Br)cc2n1.c1nc2ccc(Nc3nnc(C4CCCO4)s3)nc2cc1-c1cnn(C2CCNCC2)c1.

What is the InChIKey of N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

The InChIKey is GUMVKPFBSALSSZ-NHLCVNKSSA-N. The full InChI is InChI=1S/2C33H46N8O4SSi.C22H24N8OS.2C20H26BrN5O2SSi/c1-33(2,3)45-32(42)39-13-11-25(12-14-39)41-21-24(20-35-41)23-18-27-26(34-19-23)9-10-29(36-27)40(22-43-16-17-47(4,5)6)31-38-37-30(46-31)28-8-7-15-44-28;1-33(2,3)45-32(42)39-13-11-25(12-14-39)40-21-24(20-35-40)23-18-27-26(34-19-23)9-10-29(36-27)37-31-41(22-43-16-17-47(4,5)6)38-30(46-31)28-8-7-15-44-28;1-2-19(31-9-1)21-28-29-22(32-21)27-20-4-3-17-18(26-20)10-14(11-24-17)15-12-25-30(13-15)16-5-7-23-8-6-16;1-30(2,3)10-9-27-13-26(20-25-24-19(29-20)17-5-4-8-28-17)18-7-6-15-16(23-18)11-14(21)12-22-15;1-30(2,3)10-9-27-13-26-20(29-19(25-26)17-5-4-8-28-17)24-18-7-6-15-16(23-18)11-14(21)12-22-15/h2*9-10,18-21,25,28H,7-8,11-17,22H2,1-6H3;3-4,10-13,16,19,23H,1-2,5-9H2,(H,26,27,29);2*6-7,11-12,17H,4-5,8-10,13H2,1-3H3/b;37-31+;;;24-20-.

What are the key properties of N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?

N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 2823.46 g/mol, XLogP of 28.39, 39 rotatable bonds, 2 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine;N-(7-bromo-1,5-naphthyridin-2-yl)-5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-imine;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-(2-trimethylsilylethoxymethyl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[6-[[5-(oxolan-2-yl)-3-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-ylidene]amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;5-(oxolan-2-yl)-N-[7-(1-piperidin-4-ylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 158370088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).