6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

C225H285N49O4S5 — CID 157304698

IUPAC6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1cc2c(cn1)N=CC2.CC(C)(C)c1cc2c(s1)C=NC2.CC(C)(C)c1cc2c(s1)N=CC2.CC(C)(C)c1cc2cn[nH]c2s1.CC(C)(C)c1cc2ocnc2cn1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncoc2n1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1ccn2nccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncoc2c1.CC(C)(C)c1nc2ncccc2[nH]1
InChIInChI=1S/3C11H14N2.C11H13NO.2C11H13NS.10C10H13N3.3C10H12N2O.2C10H13NS.C9H12N2S/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-5-7-13-9(12-8)4-6-11-13;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-10(2,3)9-4-7-5-11-6-8(7)12-9;1-10(2,3)8-6-7-4-5-11-9(7)12-8;1-9(2,3)7-4-6-5-10-11-8(6)12-7/h4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,4H2,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);8*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,10,11)
InChIKeyBCHXGQNSYOVPBD-UHFFFAOYSA-N
MW3900.43 g/mol
LogP55.93
Rot. Bonds

About 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157304698) has the molecular formula C225H285N49O4S5 and a molecular weight of 3900.43 g/mol. Its IUPAC name is 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157304698
Molecular FormulaC225H285N49O4S5
Molecular Weight3900.43 g/mol
Exact Mass3897.22
IUPAC Name6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)c1cc2c(cn1)N=CC2.CC(C)(C)c1cc2c(s1)C=NC2.CC(C)(C)c1cc2c(s1)N=CC2.CC(C)(C)c1cc2cn[nH]c2s1.CC(C)(C)c1cc2ocnc2cn1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncoc2n1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1ccn2nccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncoc2c1.CC(C)(C)c1nc2ncccc2[nH]1
InChIInChI=1S/3C11H14N2.C11H13NO.2C11H13NS.10C10H13N3.3C10H12N2O.2C10H13NS.C9H12N2S/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-5-7-13-9(12-8)4-6-11-13;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-10(2,3)9-4-7-5-11-6-8(7)12-9;1-10(2,3)8-6-7-4-5-11-9(7)12-8;1-9(2,3)7-4-6-5-10-11-8(6)12-7/h4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,4H2,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);8*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,10,11)
InChIKeyBCHXGQNSYOVPBD-UHFFFAOYSA-N
XLogP55.93
TPSA617.86 Ų
H-Bond Donors4
H-Bond Acceptors54
Rotatable Bonds
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003900.43
LogP ≤ 555.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1054

Analyze 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1,5-naphthyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine
CID 157645993
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;6-methyl-1H-indazole;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;2-methylthieno[2,3-b]pyridine
CID 158749319
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine
CID 159667227
CID 159678045
CID 159678045
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161372099
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161651793
1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 161693883
4-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-[4-[4-[4-[3-[4-[5-[1-[5-[5-[4-[3-[4-[5-(1H-indol-2-yl)-3H-benzotriazol-4-yl]-1H-benzimidazol-2-yl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]oxadiazol-4-yl]tetrazol-5-yl]-1H-triazol-4-yl]pyrimidin-2-yl]-2-pyridinyl]-1,2-thiazol-3-yl]-1,3-thiazol-2-yl]-1,2-oxazol-3-yl]-5-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrrolidin-2-yl]morpholine
CID 91229188
5-(1H-benzimidazol-2-yl)-7a-(1-benzofuran-2-yl)-1-(1,2,3-benzothiadiazol-4-yl)-3-(1,3-benzothiazol-2-yl)-7-(1-benzothiophen-2-yl)-4-(1H-benzotriazol-4-yl)-6-(1,2,3-benzoxadiazol-4-yl)-3a-(1,3-benzoxazol-2-yl)-5-[6-(furan-2-yl)-5-thiophen-2-yl-1,2,3-benzothiadiazol-4-yl]-4-[3-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-3a-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-7-pyrazin-2-yl-5-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-2-pyridin-2-yl-2-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)-1-(1H-1,2,4-triazol-3-yl)-2-(1H-triazol-4-yl)benzo[c][1,2,5]thiadiazol-4-yl]-6-(1H-indazol-3-yl)-7-thieno[3,2-b]pyridin-6-ylbenzo[c][1,2,5]oxadiazole
CID 141290183

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine (CID 157304698) is 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)c1cc2c(cn1)N=CC2.CC(C)(C)c1cc2c(s1)C=NC2.CC(C)(C)c1cc2c(s1)N=CC2.CC(C)(C)c1cc2cn[nH]c2s1.CC(C)(C)c1cc2ocnc2cn1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nccn2n1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ncoc2n1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2nncn2c1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1ccn2nccc2n1.CC(C)(C)c1cn2cccnc2n1.CC(C)(C)c1cn2ccnc2cn1.CC(C)(C)c1cnc2nc[nH]c2c1.CC(C)(C)c1cnc2ncccn12.CC(C)(C)c1cnc2nccn2c1.CC(C)(C)c1cnc2ncoc2c1.CC(C)(C)c1nc2ncccc2[nH]1.
What is the InChIKey of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BCHXGQNSYOVPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H14N2.C11H13NO.2C11H13NS.10C10H13N3.3C10H12N2O.2C10H13NS.C9H12N2S/c1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-5-7-13-9(12-8)4-6-11-13;1-10(2,3)8-7-13-5-4-11-9(13)6-12-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-10(2,3)8-4-5-9-11-6-7-13(9)12-8;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)8-7-12-9-11-5-4-6-13(8)9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;1-10(2,3)9-4-8-7(5-11-9)12-6-13-8;1-10(2,3)7-4-8-9(11-5-7)12-6-13-8;1-10(2,3)8-5-4-7-9(12-8)13-6-11-7;1-10(2,3)9-4-7-5-11-6-8(7)12-9;1-10(2,3)8-6-7-4-5-11-9(7)12-8;1-9(2,3)7-4-6-5-10-11-8(6)12-7/h4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,4H2,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);8*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);3*4-6H,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,10,11).
What are the key properties of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine?
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 3900.43 g/mol, XLogP of 55.93, 0 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;2-tert-butyl-4H-thieno[2,3-b]pyrrole;2-tert-butyl-4H-thieno[2,3-c]pyrrole;5-tert-butyl-1H-thieno[3,2-d]pyrazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157304698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).