4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C90H98BBr3ClF4N23O4S5 — CID 161087227

About 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 161087227) has the molecular formula C90H98BBr3ClF4N23O4S5 and a molecular weight of 2088.23 g/mol. Its IUPAC name is 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 161087227
• Molecular Formula: C90H98BBr3ClF4N23O4S5
• Molecular Weight: 2088.23 g/mol
• Exact Mass: 2083.40
• IUPAC Name: 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: Brc1nccs1.CC(C)(C)c1[nH]ncc1Br.CC(C)(C)c1nn(-c2nccs2)cc1-c1ccc(N)nc1.CC(C)(C)c1nn(-c2nccs2)cc1-c1ccc(N)nc1.CC(C)(C)c1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.CC(C)(C)c1nn(-c2nccs2)cc1Br.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.O=C(Cl)c1c(F)cccc1F
• InChI: InChI=1S/C22H19F2N5OS.2C15H17N5S.C11H17BN2O2.C10H12BrN3S.C7H11BrN2.C7H3ClF2O.C3H2BrNS/c1-22(2,3)19-14(12-29(28-19)21-25-9-10-31-21)13-7-8-17(26-11-13)27-20(30)18-15(23)5-4-6-16(18)24;2*1-15(2,3)13-11(10-4-5-12(16)18-8-10)9-20(19-13)14-17-6-7-21-14;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-10(2,3)8-7(11)6-14(13-8)9-12-4-5-15-9;1-7(2,3)6-5(8)4-9-10-6;8-7(11)6-4(9)2-1-3-5(6)10;4-3-5-1-2-6-3/h4-12H,1-3H3,(H,26,27,30);2*4-9H,1-3H3,(H2,16,18);5-7H,1-4H3,(H2,13,14);4-6H,1-3H3;4H,1-3H3,(H,9,10);1-3H;1-2H
• InChIKey: UGRMRBSOYQINHI-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 358.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.23
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 161087227) is 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Brc1nccs1.CC(C)(C)c1[nH]ncc1Br.CC(C)(C)c1nn(-c2nccs2)cc1-c1ccc(N)nc1.CC(C)(C)c1nn(-c2nccs2)cc1-c1ccc(N)nc1.CC(C)(C)c1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.CC(C)(C)c1nn(-c2nccs2)cc1Br.CC1(C)OB(c2ccc(N)nc2)OC1(C)C.O=C(Cl)c1c(F)cccc1F.

What is the InChIKey of 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is UGRMRBSOYQINHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5OS.2C15H17N5S.C11H17BN2O2.C10H12BrN3S.C7H11BrN2.C7H3ClF2O.C3H2BrNS/c1-22(2,3)19-14(12-29(28-19)21-25-9-10-31-21)13-7-8-17(26-11-13)27-20(30)18-15(23)5-4-6-16(18)24;2*1-15(2,3)13-11(10-4-5-12(16)18-8-10)9-20(19-13)14-17-6-7-21-14;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-10(2,3)8-7(11)6-14(13-8)9-12-4-5-15-9;1-7(2,3)6-5(8)4-9-10-6;8-7(11)6-4(9)2-1-3-5(6)10;4-3-5-1-2-6-3/h4-12H,1-3H3,(H,26,27,30);2*4-9H,1-3H3,(H2,16,18);5-7H,1-4H3,(H2,13,14);4-6H,1-3H3;4H,1-3H3,(H,9,10);1-3H;1-2H.

What are the key properties of 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 2088.23 g/mol, XLogP of 22.83, 11 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-tert-butyl-1H-pyrazole;2-(4-bromo-3-tert-butylpyrazol-1-yl)-1,3-thiazole;2-bromo-1,3-thiazole;bis(5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);N-[5-[3-tert-butyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,6-difluorobenzamide;2,6-difluorobenzoyl chloride;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 161087227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).