4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole

C186H292BrClFN27O5S11 — CID 159947127

IUPAC4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
SMILESC=Cc1ncsc1C(C)C.CC(C)C1=CCN=C1.CC(C)C1=NCC=N1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1cn[nH]n1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncsc1C(C)C.CC(C)c1sccc1C1CC1.CC(C)c1sccc1Cl.CC(C)c1sccc1F.CC(C)c1scnc1Br.CCc1ccsc1C(C)C.CCc1ncsc1C(C)(C)C.Cc1c(C(C)C)ncn1C.Cc1ccoc1C(C)C.Cc1nccn1C(C)(C)C.Cc1ncn(C)c1C(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)C.Cc1nocc1C(C)(C)C
InChIInChI=1S/C10H14S.2C9H15NS.C9H14S.3C8H14N2.2C8H13NO.C8H13NS.C8H11NS.C8H12O.C7H9ClS.C7H9FS.2C7H12N2.C7H11NS.2C7H11N.C7H10O.C6H8BrNS.C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-7(2)10-9(5-6-11-10)8-3-4-8;1-6(2)8-9(7(3)4)11-5-10-8;1-5-7-8(9(2,3)4)11-6-10-7;1-4-8-5-6-10-9(8)7(2)3;1-7-9-5-6-10(7)8(2,3)4;1-6(2)8-7(3)10(4)5-9-8;1-6(2)8-7(3)9-5-10(8)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-4-7-8(6(2)3)10-5-9-7;1-6(2)8-7(3)4-5-9-8;2*1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)8-3-9-5;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-7-4-8-6;1-4(2)5-3-6-8-7-5/h5-8H,3-4H2,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-7H,4H2,1-3H3;3*5-6H,1-4H3;3*5H,1-4H3;4-6H,1H2,2-3H3;4-6H,1-3H3;2*3-5H,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3,5H,4H2,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyOBQBFYFQSDVXFQ-UHFFFAOYSA-N
MW3473.66 g/mol
LogP59.70
Rot. Bonds25

About 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole

4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole (PubChem CID 159947127) has the molecular formula C186H292BrClFN27O5S11 and a molecular weight of 3473.66 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
PubChem CID159947127
Molecular FormulaC186H292BrClFN27O5S11
Molecular Weight3473.66 g/mol
Exact Mass3468.92
IUPAC Name4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
SMILESC=Cc1ncsc1C(C)C.CC(C)C1=CCN=C1.CC(C)C1=NCC=N1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1cn[nH]n1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncsc1C(C)C.CC(C)c1sccc1C1CC1.CC(C)c1sccc1Cl.CC(C)c1sccc1F.CC(C)c1scnc1Br.CCc1ccsc1C(C)C.CCc1ncsc1C(C)(C)C.Cc1c(C(C)C)ncn1C.Cc1ccoc1C(C)C.Cc1nccn1C(C)(C)C.Cc1ncn(C)c1C(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)C.Cc1nocc1C(C)(C)C
InChIInChI=1S/C10H14S.2C9H15NS.C9H14S.3C8H14N2.2C8H13NO.C8H13NS.C8H11NS.C8H12O.C7H9ClS.C7H9FS.2C7H12N2.C7H11NS.2C7H11N.C7H10O.C6H8BrNS.C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-7(2)10-9(5-6-11-10)8-3-4-8;1-6(2)8-9(7(3)4)11-5-10-8;1-5-7-8(9(2,3)4)11-6-10-7;1-4-8-5-6-10-9(8)7(2)3;1-7-9-5-6-10(7)8(2,3)4;1-6(2)8-7(3)10(4)5-9-8;1-6(2)8-7(3)9-5-10(8)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-4-7-8(6(2)3)10-5-9-7;1-6(2)8-7(3)4-5-9-8;2*1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)8-3-9-5;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-7-4-8-6;1-4(2)5-3-6-8-7-5/h5-8H,3-4H2,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-7H,4H2,1-3H3;3*5-6H,1-4H3;3*5H,1-4H3;4-6H,1H2,2-3H3;4-6H,1-3H3;2*3-5H,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3,5H,4H2,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
InChIKeyOBQBFYFQSDVXFQ-UHFFFAOYSA-N
XLogP59.70
TPSA378.14 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds25
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003473.66
LogP ≤ 559.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Analyze 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?
The IUPAC name of 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole (CID 159947127) is 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole.
What is the SMILES notation for 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?
The canonical SMILES for 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole is C=Cc1ncsc1C(C)C.CC(C)C1=CCN=C1.CC(C)C1=NCC=N1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1ccnn1C.CC(C)c1cn[nH]n1.CC(C)c1cncn1C.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncsc1C(C)C.CC(C)c1sccc1C1CC1.CC(C)c1sccc1Cl.CC(C)c1sccc1F.CC(C)c1scnc1Br.CCc1ccsc1C(C)C.CCc1ncsc1C(C)(C)C.Cc1c(C(C)C)ncn1C.Cc1ccoc1C(C)C.Cc1nccn1C(C)(C)C.Cc1ncn(C)c1C(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1ncsc1C(C)C.Cc1nocc1C(C)(C)C.
What is the InChIKey of 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?
The InChIKey is OBQBFYFQSDVXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.2C9H15NS.C9H14S.3C8H14N2.2C8H13NO.C8H13NS.C8H11NS.C8H12O.C7H9ClS.C7H9FS.2C7H12N2.C7H11NS.2C7H11N.C7H10O.C6H8BrNS.C6H10N2.C6H9NO.C6H9NS.C5H9N3/c1-7(2)10-9(5-6-11-10)8-3-4-8;1-6(2)8-9(7(3)4)11-5-10-8;1-5-7-8(9(2,3)4)11-6-10-7;1-4-8-5-6-10-9(8)7(2)3;1-7-9-5-6-10(7)8(2,3)4;1-6(2)8-7(3)10(4)5-9-8;1-6(2)8-7(3)9-5-10(8)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-4-7-8(6(2)3)10-5-9-7;1-6(2)8-7(3)4-5-9-8;2*1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-8-5-9(7)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7;1-6(2)7-3-4-8-5-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)8-3-9-5;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-7-4-8-6;1-4(2)5-3-6-8-7-5/h5-8H,3-4H2,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-7H,4H2,1-3H3;3*5-6H,1-4H3;3*5H,1-4H3;4-6H,1H2,2-3H3;4-6H,1-3H3;2*3-5H,1-2H3;2*4-6H,1-3H3;4-5H,1-3H3;3,5-6H,4H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3,5H,4H2,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).
What are the key properties of 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole?
4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole has a molecular weight of 3473.66 g/mol, XLogP of 59.70, 25 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-1,3-thiazole;5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;3-chloro-2-propan-2-ylthiophene;3-cyclopropyl-2-propan-2-ylthiophene;1,4-dimethyl-5-propan-2-ylimidazole;1,5-dimethyl-4-propan-2-ylimidazole;4,5-di(propan-2-yl)-1,3-thiazole;4-ethenyl-5-propan-2-yl-1,3-thiazole;3-ethyl-2-propan-2-ylthiophene;3-fluoro-2-propan-2-ylthiophene;3-methyl-2-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 159947127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).