2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline

C235H293Cl8FN32S3 — CID 159659890

IUPAC2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)c1[nH]c2ccncc2c1F.CC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2scc(Cl)c2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cc1cc2[nH]c(C(C)(C)C)cc2cn1.Cc1nccc2[nH]c(C(C)(C)C)cc12.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cnc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C13H19N.C12H15ClN2.C12H14ClN.3C12H16N2.C12H17N.C12H15N.C11H13ClN2.3C11H12ClNS.C11H13FN2.C11H16N2.3C11H14N2/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-9-7-11(12(2,3)4)14-10(9)5-6-13-8;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-9(12)7-6-13-5-4-8(7)14-10;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4-5,8,14H,6-7,9H2,1-3H3;5-7H,1-4H3;4,6-7H,5H2,1-3H3;5-7,14H,1-4H3;5-8H,1-4H3;5-7,14H,1-4H3;4-6,13H,7-8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-6,14H,1-3H3;4,6,12H,5,7H2,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3
InChIKeyMSQXPMQCKNNQAJ-UHFFFAOYSA-N
MW3964.98 g/mol
LogP64.84
Rot. Bonds

About 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline

2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 159659890) has the molecular formula C235H293Cl8FN32S3 and a molecular weight of 3964.98 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID159659890
Molecular FormulaC235H293Cl8FN32S3
Molecular Weight3964.98 g/mol
Exact Mass3958.06
IUPAC Name2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)(C)c1[nH]c2ccncc2c1F.CC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2scc(Cl)c2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cc1cc2[nH]c(C(C)(C)C)cc2cn1.Cc1nccc2[nH]c(C(C)(C)C)cc12.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cnc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C13H19N.C12H15ClN2.C12H14ClN.3C12H16N2.C12H17N.C12H15N.C11H13ClN2.3C11H12ClNS.C11H13FN2.C11H16N2.3C11H14N2/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-9-7-11(12(2,3)4)14-10(9)5-6-13-8;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-9(12)7-6-13-5-4-8(7)14-10;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4-5,8,14H,6-7,9H2,1-3H3;5-7H,1-4H3;4,6-7H,5H2,1-3H3;5-7,14H,1-4H3;5-8H,1-4H3;5-7,14H,1-4H3;4-6,13H,7-8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-6,14H,1-3H3;4,6,12H,5,7H2,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3
InChIKeyMSQXPMQCKNNQAJ-UHFFFAOYSA-N
XLogP64.84
TPSA417.78 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003964.98
LogP ≤ 564.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline (CID 159659890) is 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline is CC(C)(C)c1[nH]c2ccncc2c1F.CC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc2cnccc2[nH]1.CC(C)(C)c1cc2ncccc2[nH]1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CNC2.CC(C)(C)c1ccc2ncc(Cl)n2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2c(c1)CNC2.CC(C)(C)c1cnc2scc(Cl)c2c1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cc1cc2[nH]c(C(C)(C)C)cc2cn1.Cc1nccc2[nH]c(C(C)(C)C)cc12.Cn1cc(Cl)c2cc(C(C)(C)C)cnc21.Cn1cnc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MSQXPMQCKNNQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C13H19N.C12H15ClN2.C12H14ClN.3C12H16N2.C12H17N.C12H15N.C11H13ClN2.3C11H12ClNS.C11H13FN2.C11H16N2.3C11H14N2/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-12(2,3)8-5-9-10(13)7-15(4)11(9)14-6-8;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-8-5-10-9(7-13-8)6-11(14-10)12(2,3)4;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-8-9-7-11(12(2,3)4)14-10(9)5-6-13-8;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;1-11(2,3)8-4-5-10-13-6-9(12)14(10)7-8;1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)10-9(12)7-6-13-5-4-8(7)14-10;1-11(2,3)9-4-8-5-12-7-10(8)13-6-9;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)10-7-9-8(13-10)5-4-6-12-9/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4-5,8,14H,6-7,9H2,1-3H3;5-7H,1-4H3;4,6-7H,5H2,1-3H3;5-7,14H,1-4H3;5-8H,1-4H3;5-7,14H,1-4H3;4-6,13H,7-8H2,1-3H3;4-5,7-8H,6H2,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;4-6,14H,1-3H3;4,6,12H,5,7H2,1-3H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7,13H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline?
2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 3964.98 g/mol, XLogP of 64.84, 0 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1,3-benzothiazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-3-chloroimidazo[1,2-a]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;5-tert-butyl-3-chloro-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-3-chlorothieno[2,3-b]pyridine;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-2,3-dihydro-1H-isoindole;3-tert-butyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-tert-butyl-3-fluoro-1H-pyrrolo[3,2-c]pyridine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylisoquinolin-1-amine;5-tert-butyl-1-methylbenzimidazole;2-tert-butyl-4-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 159659890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).