6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one

C60H46Br7F3N16O8S5 — CID 160503218

IUPAC6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
SMILESBrc1cc2scnc2cn1.CC(CC(=O)c1cc2scnc2cn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CCCCOC(=O)c1cc2scnc2cn1.CONc1cnc(Br)cc1Br.Nc1cnc(Br)cc1Br.O=C(O)c1cc2scnc2cn1.O=[N+]([O-])c1cnc(Br)cc1Br
InChIInChI=1S/C20H15F3N4OS2.C11H12N2O2S.C7H4N2O2S.C6H6Br2N2O.C6H3BrN2S.C5H2Br2N2O2.C5H4Br2N2/c1-11(6-16(28)14-7-17-15(8-24-14)26-10-29-17)18-9-25-19(30-18)27-13-4-2-12(3-5-13)20(21,22)23;1-2-3-4-15-11(14)8-5-10-9(6-12-8)13-7-16-10;10-7(11)4-1-6-5(2-8-4)9-3-12-6;1-11-10-5-3-9-6(8)2-4(5)7;7-6-1-5-4(2-8-6)9-3-10-5;6-3-1-5(7)8-2-4(3)9(10)11;6-3-1-5(7)9-2-4(3)8/h2-5,7-11H,6H2,1H3,(H,25,27);5-7H,2-4H2,1H3;1-3H,(H,10,11);2-3,10H,1H3;1-3H;1-2H;1-2H,8H2
InChIKeyQSBFHXHZESFLRG-UHFFFAOYSA-N
MW1895.79 g/mol
LogP20.06
Rot. Bonds14

About 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one

6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one (PubChem CID 160503218) has the molecular formula C60H46Br7F3N16O8S5 and a molecular weight of 1895.79 g/mol. Its IUPAC name is 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one.

Molecular Properties

Compound Name6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
PubChem CID160503218
Molecular FormulaC60H46Br7F3N16O8S5
Molecular Weight1895.79 g/mol
Exact Mass1887.65
IUPAC Name6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
SMILESBrc1cc2scnc2cn1.CC(CC(=O)c1cc2scnc2cn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CCCCOC(=O)c1cc2scnc2cn1.CONc1cnc(Br)cc1Br.Nc1cnc(Br)cc1Br.O=C(O)c1cc2scnc2cn1.O=[N+]([O-])c1cnc(Br)cc1Br
InChIInChI=1S/C20H15F3N4OS2.C11H12N2O2S.C7H4N2O2S.C6H6Br2N2O.C6H3BrN2S.C5H2Br2N2O2.C5H4Br2N2/c1-11(6-16(28)14-7-17-15(8-24-14)26-10-29-17)18-9-25-19(30-18)27-13-4-2-12(3-5-13)20(21,22)23;1-2-3-4-15-11(14)8-5-10-9(6-12-8)13-7-16-10;10-7(11)4-1-6-5(2-8-4)9-3-12-6;1-11-10-5-3-9-6(8)2-4(5)7;7-6-1-5-4(2-8-6)9-3-10-5;6-3-1-5(7)8-2-4(3)9(10)11;6-3-1-5(7)9-2-4(3)8/h2-5,7-11H,6H2,1H3,(H,25,27);5-7H,2-4H2,1H3;1-3H,(H,10,11);2-3,10H,1H3;1-3H;1-2H;1-2H,8H2
InChIKeyQSBFHXHZESFLRG-UHFFFAOYSA-N
XLogP20.06
TPSA337.80 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.79
LogP ≤ 520.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

butyl 1-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 2-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate;2-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid;1-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 158525920
2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;1-(2-amino-1-methylimidazo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one;6-bromo-1-methylimidazo[4,5-c]pyridin-2-amine;6-bromo-4-N-methylpyridine-3,4-diamine;butyl 2-amino-1-methylimidazo[4,5-c]pyridine-6-carboxylate
CID 158967696

Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
The IUPAC name of 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one (CID 160503218) is 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one.
What is the SMILES notation for 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
The canonical SMILES for 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one is Brc1cc2scnc2cn1.CC(CC(=O)c1cc2scnc2cn1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.CCCCOC(=O)c1cc2scnc2cn1.CONc1cnc(Br)cc1Br.Nc1cnc(Br)cc1Br.O=C(O)c1cc2scnc2cn1.O=[N+]([O-])c1cnc(Br)cc1Br.
What is the InChIKey of 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
The InChIKey is QSBFHXHZESFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4OS2.C11H12N2O2S.C7H4N2O2S.C6H6Br2N2O.C6H3BrN2S.C5H2Br2N2O2.C5H4Br2N2/c1-11(6-16(28)14-7-17-15(8-24-14)26-10-29-17)18-9-25-19(30-18)27-13-4-2-12(3-5-13)20(21,22)23;1-2-3-4-15-11(14)8-5-10-9(6-12-8)13-7-16-10;10-7(11)4-1-6-5(2-8-4)9-3-12-6;1-11-10-5-3-9-6(8)2-4(5)7;7-6-1-5-4(2-8-6)9-3-10-5;6-3-1-5(7)8-2-4(3)9(10)11;6-3-1-5(7)9-2-4(3)8/h2-5,7-11H,6H2,1H3,(H,25,27);5-7H,2-4H2,1H3;1-3H,(H,10,11);2-3,10H,1H3;1-3H;1-2H;1-2H,8H2.
What are the key properties of 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one?
6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one has a molecular weight of 1895.79 g/mol, XLogP of 20.06, 14 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-[1,3]thiazolo[4,5-c]pyridine;butyl [1,3]thiazolo[4,5-c]pyridine-6-carboxylate;4,6-dibromo-N-methoxypyridin-3-amine;2,4-dibromo-5-nitropyridine;4,6-dibromopyridin-3-amine;[1,3]thiazolo[4,5-c]pyridine-6-carboxylic acid;1-([1,3]thiazolo[4,5-c]pyridin-6-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one is sourced from PubChem (CID 160503218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).