5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine

C87H72Br4Cl2F9N15O2S5 — CID 162185505

About 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine

5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine (PubChem CID 162185505) has the molecular formula C87H72Br4Cl2F9N15O2S5 and a molecular weight of 2081.47 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine.

Molecular Properties

• Compound Name: 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine
• PubChem CID: 162185505
• Molecular Formula: C87H72Br4Cl2F9N15O2S5
• Molecular Weight: 2081.47 g/mol
• Exact Mass: 2075.06
• IUPAC Name: 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine
• SMILES: C1CCNCC1.CCN(c1nc(-c2ccc(F)cc2)cs1)c1c2cc(Br)cc(F)c2nn1CC.CCn1nc2c(F)cc(Br)cc2c1N.CCn1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)cc2)cs1.Fc1ccc(-c2csc(Cl)n2)cc1.Fc1ccc(-c2csc(Cl)n2)cc1.N#CSCC(=O)c1ccc(F)cc1.O=C(CBr)c1ccc(F)cc1
• InChI: InChI=1S/C20H17BrF2N4S.C18H13BrF2N4S.C9H9BrFN3.2C9H5ClFNS.C9H6FNOS.C8H6BrFO.C5H11N/c1-3-26(20-24-17(11-28-20)12-5-7-14(22)8-6-12)19-15-9-13(21)10-16(23)18(15)25-27(19)4-2;1-2-25-17(13-7-11(19)8-14(21)16(13)24-25)23-18-22-15(9-26-18)10-3-5-12(20)6-4-10;1-2-14-9(12)6-3-5(10)4-7(11)8(6)13-14;2*10-9-12-8(5-13-9)6-1-3-7(11)4-2-6;10-8-3-1-7(2-4-8)9(12)5-13-6-11;9-5-8(11)6-1-3-7(10)4-2-6;1-2-4-6-5-3-1/h5-11H,3-4H2,1-2H3;3-9H,2H2,1H3,(H,22,23);3-4H,2,12H2,1H3;2*1-5H;1-4H,5H2;1-4H,5H2;6H,1-5H2
• InChIKey: ZPPJEOJPZLWCGF-UHFFFAOYSA-N
• XLogP: 27.47
• TPSA: 216.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.47
LogP ≤ 5	27.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine?

The IUPAC name of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine (CID 162185505) is 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine.

What is the SMILES notation for 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine?

The canonical SMILES for 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine is C1CCNCC1.CCN(c1nc(-c2ccc(F)cc2)cs1)c1c2cc(Br)cc(F)c2nn1CC.CCn1nc2c(F)cc(Br)cc2c1N.CCn1nc2c(F)cc(Br)cc2c1Nc1nc(-c2ccc(F)cc2)cs1.Fc1ccc(-c2csc(Cl)n2)cc1.Fc1ccc(-c2csc(Cl)n2)cc1.N#CSCC(=O)c1ccc(F)cc1.O=C(CBr)c1ccc(F)cc1.

What is the InChIKey of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine?

The InChIKey is ZPPJEOJPZLWCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF2N4S.C18H13BrF2N4S.C9H9BrFN3.2C9H5ClFNS.C9H6FNOS.C8H6BrFO.C5H11N/c1-3-26(20-24-17(11-28-20)12-5-7-14(22)8-6-12)19-15-9-13(21)10-16(23)18(15)25-27(19)4-2;1-2-25-17(13-7-11(19)8-14(21)16(13)24-25)23-18-22-15(9-26-18)10-3-5-12(20)6-4-10;1-2-14-9(12)6-3-5(10)4-7(11)8(6)13-14;2*10-9-12-8(5-13-9)6-1-3-7(11)4-2-6;10-8-3-1-7(2-4-8)9(12)5-13-6-11;9-5-8(11)6-1-3-7(10)4-2-6;1-2-4-6-5-3-1/h5-11H,3-4H2,1-2H3;3-9H,2H2,1H3,(H,22,23);3-4H,2,12H2,1H3;2*1-5H;1-4H,5H2;1-4H,5H2;6H,1-5H2.

What are the key properties of 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine?

5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine has a molecular weight of 2081.47 g/mol, XLogP of 27.47, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-ethyl-7-fluoroindazol-3-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine;N-(5-bromo-2-ethyl-7-fluoroindazol-3-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine;2-bromo-1-(4-fluorophenyl)ethanone;bis(2-chloro-4-(4-fluorophenyl)-1,3-thiazole);[2-(4-fluorophenyl)-2-oxoethyl] thiocyanate;piperidine is sourced from PubChem (CID 162185505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).