5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine

C204H269N31OS8 — CID 162020169

IUPAC5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1ccncn1.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1.CC(C)(C)c1ncccn1.Cc1ccnnc1.Cc1nc2ccncc2s1
InChIInChI=1S/C13H15N.C12H14N2.2C12H15N.C12H16O.C12H14S.C11H16N2.C11H18N2.2C11H13NS.C10H13N3.C10H16N2S.2C10H12N2S.C10H20.C9H11N3S.2C8H12N2.C7H6N2S.C5H6N2/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;2*1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-5-9-6-2-3-8-4-7(6)10-5;1-5-2-3-6-7-4-5/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;3*4-7H,1-3H3;11H,4-6H2,1-3H3;2*4-6H,1-3H3;9H,4-8H2,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;2-4H,1H3;2-4H,1H3
InChIKeyYUQOLSJJKJNMRQ-UHFFFAOYSA-N
MW3428.15 g/mol
LogP55.18
Rot. Bonds

About 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine

5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 162020169) has the molecular formula C204H269N31OS8 and a molecular weight of 3428.15 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
PubChem CID162020169
Molecular FormulaC204H269N31OS8
Molecular Weight3428.15 g/mol
Exact Mass3424.97
IUPAC Name5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1ccncn1.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1.CC(C)(C)c1ncccn1.Cc1ccnnc1.Cc1nc2ccncc2s1
InChIInChI=1S/C13H15N.C12H14N2.2C12H15N.C12H16O.C12H14S.C11H16N2.C11H18N2.2C11H13NS.C10H13N3.C10H16N2S.2C10H12N2S.C10H20.C9H11N3S.2C8H12N2.C7H6N2S.C5H6N2/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;2*1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-5-9-6-2-3-8-4-7(6)10-5;1-5-2-3-6-7-4-5/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;3*4-7H,1-3H3;11H,4-6H2,1-3H3;2*4-6H,1-3H3;9H,4-8H2,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;2-4H,1H3;2-4H,1H3
InChIKeyYUQOLSJJKJNMRQ-UHFFFAOYSA-N
XLogP55.18
TPSA384.22 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003428.15
LogP ≤ 555.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Analyze 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methylthieno[2,3-c]pyridine
CID 158432789
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 162006352
2-tert-butyl-4,6a-dihydro-3aH-cyclopenta[b]thiophene;6-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;5-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;3-tert-butylthieno[2,3-b]pyridine;2-tert-butylthieno[3,2-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158583948
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;tert-butylcyclopentane;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine
CID 157320372
tert-butylbenzene;6-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indole;6-tert-butyl-1-methyl-3,4-dihydro-2H-quinoline;5-tert-butyl-2-methyl-1H-indole;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butylnaphthalene;methane
CID 161129300
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 161479708
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 158043073
1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;4-tert-butyl-1-(2-methylpropyl)pyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-4-methylthiophene;1-tert-butylpiperidine;5-tert-butylpyrimidine;tetrakis(2,2-dimethylpropane);furan;naphthalene;quinoline;thiophene
CID 157374476
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;bis(1-tert-butylcyclopenta-1,3-diene);tert-butylcyclopentane;3-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene
CID 165104121
5-bromo-2-tert-butylpyrimidine;1-tert-butyl-3-chloro-2-methylbenzene;2-tert-butyl-5-chloropyrimidine;2-tert-butyl-6-methyl-1,3-benzothiazole;2-tert-butyl-4-methylpyrimidine;3-tert-butylphenol;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-4-(trifluoromethyl)pyrimidine
CID 160533524
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;8-(3-tert-butyl-2-fluorophenyl)-7-methylsulfanylimidazo[1,2-a]pyridine;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine;1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinoline;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole
CID 158250284
4-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;7-tert-butyl-1H-indole;bis(4-tert-butylisoquinoline);5-tert-butylisoquinoline;8-tert-butylisoquinoline;4-tert-butyl-1,8-naphthyridine;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;4-tert-butyl-1H-quinolin-2-one;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;cumene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 162034077

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine (CID 162020169) is 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine is CC(C)(C)C1CCCCC1.CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NCN2.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1ccn2ncnc2c1.CC(C)(C)c1ccncn1.CC(C)(C)c1nc2c(s1)CCNC2.CC(C)(C)c1nc2cnccc2s1.CC(C)(C)c1nc2ncccc2s1.CC(C)(C)c1nc2nccnc2s1.CC(C)(C)c1ncccn1.Cc1ccnnc1.Cc1nc2ccncc2s1.
What is the InChIKey of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is YUQOLSJJKJNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H14N2.2C12H15N.C12H16O.C12H14S.C11H16N2.C11H18N2.2C11H13NS.C10H13N3.C10H16N2S.2C10H12N2S.C10H20.C9H11N3S.2C8H12N2.C7H6N2S.C5H6N2/c1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;2*1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-8-7(13-9)5-4-6-11-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-5-9-6-2-3-8-4-7(6)10-5;1-5-2-3-6-7-4-5/h4-9H,1-3H3;4-8H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;4-6,12-13H,7H2,1-3H3;8H,4-7H2,1-3H3;3*4-7H,1-3H3;11H,4-6H2,1-3H3;2*4-6H,1-3H3;9H,4-8H2,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;2-4H,1H3;2-4H,1H3.
What are the key properties of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine?
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 3428.15 g/mol, XLogP of 55.18, 0 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 162020169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).