5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide

C67H59BBr2ClF2N15O4S4 — CID 161243793

IUPAC5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide
SMILESBr.Cn1nc(-c2ccccc2)cc1-c1ccc(N)s1.Cn1nc(-c2ccccc2)cc1-c1cnc(N)s1.Cn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2ccccc2F)s1.Cn1nc(-c2ccccc2)cc1B(O)O.Nc1ncc(Br)s1.O=C(Cl)c1ccccc1F
InChIInChI=1S/C20H15FN4OS.C14H13N3S.C13H12N4S.C10H11BN2O2.C7H4ClFO.C3H3BrN2S.BrH/c1-25-17(11-16(24-25)13-7-3-2-4-8-13)18-12-22-20(27-18)23-19(26)14-9-5-6-10-15(14)21;1-17-12(13-7-8-14(15)18-13)9-11(16-17)10-5-3-2-4-6-10;1-17-11(12-8-15-13(14)18-12)7-10(16-17)9-5-3-2-4-6-9;1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8;8-7(10)5-3-1-2-4-6(5)9;4-2-1-6-3(5)7-2;/h2-12H,1H3,(H,22,23,26);2-9H,15H2,1H3;2-8H,1H3,(H2,14,15);2-7,14-15H,1H3;1-4H;1H,(H2,5,6);1H
InChIKeyBLTHCNTYVBKLJN-UHFFFAOYSA-N
MW1510.65 g/mol
LogP14.83
Rot. Bonds11

About 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide

5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide (PubChem CID 161243793) has the molecular formula C67H59BBr2ClF2N15O4S4 and a molecular weight of 1510.65 g/mol. Its IUPAC name is 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide.

Molecular Properties

Compound Name5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide
PubChem CID161243793
Molecular FormulaC67H59BBr2ClF2N15O4S4
Molecular Weight1510.65 g/mol
Exact Mass1507.19
IUPAC Name5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide
SMILESBr.Cn1nc(-c2ccccc2)cc1-c1ccc(N)s1.Cn1nc(-c2ccccc2)cc1-c1cnc(N)s1.Cn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2ccccc2F)s1.Cn1nc(-c2ccccc2)cc1B(O)O.Nc1ncc(Br)s1.O=C(Cl)c1ccccc1F
InChIInChI=1S/C20H15FN4OS.C14H13N3S.C13H12N4S.C10H11BN2O2.C7H4ClFO.C3H3BrN2S.BrH/c1-25-17(11-16(24-25)13-7-3-2-4-8-13)18-12-22-20(27-18)23-19(26)14-9-5-6-10-15(14)21;1-17-12(13-7-8-14(15)18-13)9-11(16-17)10-5-3-2-4-6-10;1-17-11(12-8-15-13(14)18-12)7-10(16-17)9-5-3-2-4-6-9;1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8;8-7(10)5-3-1-2-4-6(5)9;4-2-1-6-3(5)7-2;/h2-12H,1H3,(H,22,23,26);2-9H,15H2,1H3;2-8H,1H3,(H2,14,15);2-7,14-15H,1H3;1-4H;1H,(H2,5,6);1H
InChIKeyBLTHCNTYVBKLJN-UHFFFAOYSA-N
XLogP14.83
TPSA274.64 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001510.65
LogP ≤ 514.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide?
The IUPAC name of 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide (CID 161243793) is 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide.
What is the SMILES notation for 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide?
The canonical SMILES for 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide is Br.Cn1nc(-c2ccccc2)cc1-c1ccc(N)s1.Cn1nc(-c2ccccc2)cc1-c1cnc(N)s1.Cn1nc(-c2ccccc2)cc1-c1cnc(NC(=O)c2ccccc2F)s1.Cn1nc(-c2ccccc2)cc1B(O)O.Nc1ncc(Br)s1.O=C(Cl)c1ccccc1F.
What is the InChIKey of 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide?
The InChIKey is BLTHCNTYVBKLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS.C14H13N3S.C13H12N4S.C10H11BN2O2.C7H4ClFO.C3H3BrN2S.BrH/c1-25-17(11-16(24-25)13-7-3-2-4-8-13)18-12-22-20(27-18)23-19(26)14-9-5-6-10-15(14)21;1-17-12(13-7-8-14(15)18-13)9-11(16-17)10-5-3-2-4-6-10;1-17-11(12-8-15-13(14)18-12)7-10(16-17)9-5-3-2-4-6-9;1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8;8-7(10)5-3-1-2-4-6(5)9;4-2-1-6-3(5)7-2;/h2-12H,1H3,(H,22,23,26);2-9H,15H2,1H3;2-8H,1H3,(H2,14,15);2-7,14-15H,1H3;1-4H;1H,(H2,5,6);1H.
What are the key properties of 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide?
5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide has a molecular weight of 1510.65 g/mol, XLogP of 14.83, 11 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazol-2-amine;2-fluorobenzoyl chloride;2-fluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-yl]benzamide;(1-methyl-3-phenylpyrazol-5-yl)boronic acid;5-(1-methyl-3-phenylpyrazol-5-yl)-1,3-thiazol-2-amine;5-(1-methyl-3-phenylpyrazol-5-yl)thiophen-2-amine;hydrobromide is sourced from PubChem (CID 161243793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).