2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane

C44H48Br2N14O2S2 — CID 161260891

About 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane

2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane (PubChem CID 161260891) has the molecular formula C44H48Br2N14O2S2 and a molecular weight of 1028.91 g/mol. Its IUPAC name is 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane.

Molecular Properties

• Compound Name: 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane
• PubChem CID: 161260891
• Molecular Formula: C44H48Br2N14O2S2
• Molecular Weight: 1028.91 g/mol
• Exact Mass: 1026.19
• IUPAC Name: 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane
• SMILES: C.C.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2cc(Br)ccc12.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2ccc(Br)cc12
• InChI: InChI=1S/2C21H20BrN7OS.2CH4/c22-13-5-6-17-14(11-13)19(23)27-29(17)21-26-16(12-31-21)20(30)25-15-3-1-2-4-18(15)28-9-7-24-8-10-28;22-13-5-6-14-18(11-13)29(27-19(14)23)21-26-16(12-31-21)20(30)25-15-3-1-2-4-17(15)28-9-7-24-8-10-28;;/h2*1-6,11-12,24H,7-10H2,(H2,23,27)(H,25,30);2*1H4
• InChIKey: VCNMDISEKYZUEW-UHFFFAOYSA-N
• XLogP: 8.25
• TPSA: 202.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1028.91
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane?

The IUPAC name of 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane (CID 161260891) is 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane.

What is the SMILES notation for 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane?

The canonical SMILES for 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane is C.C.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2cc(Br)ccc12.Nc1nn(-c2nc(C(=O)Nc3ccccc3N3CCNCC3)cs2)c2ccc(Br)cc12.

What is the InChIKey of 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane?

The InChIKey is VCNMDISEKYZUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20BrN7OS.2CH4/c22-13-5-6-17-14(11-13)19(23)27-29(17)21-26-16(12-31-21)20(30)25-15-3-1-2-4-18(15)28-9-7-24-8-10-28;22-13-5-6-14-18(11-13)29(27-19(14)23)21-26-16(12-31-21)20(30)25-15-3-1-2-4-17(15)28-9-7-24-8-10-28;;/h2*1-6,11-12,24H,7-10H2,(H2,23,27)(H,25,30);2*1H4.

What are the key properties of 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane?

2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane has a molecular weight of 1028.91 g/mol, XLogP of 8.25, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-5-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-amino-6-bromoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane is sourced from PubChem (CID 161260891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).