6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane

C171H221N31OS5 — CID 157279739

IUPAC6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane
SMILESC.C.CC(C)(C)c1cc2c(s1)C=NC2.CC(C)(C)c1cc2c(s1)N=CC2.CC(C)(C)c1cc2cn[nH]c2s1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CN=N2.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nccnc2c1.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)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H14N2.C12H15N.3C11H14N2.C11H13NO.2C11H13NS.5C10H13N3.2C10H13NS.C9H12N2S.2CH4/c1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*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)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)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;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;4-8,13H,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);7*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,10,11);2*1H4
InChIKeyAZNGWCLRJREDNZ-UHFFFAOYSA-N
MW2887.20 g/mol
LogP46.62
Rot. Bonds

About 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane

6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane (PubChem CID 157279739) has the molecular formula C171H221N31OS5 and a molecular weight of 2887.20 g/mol. Its IUPAC name is 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane.

Molecular Properties

Compound Name6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane
PubChem CID157279739
Molecular FormulaC171H221N31OS5
Molecular Weight2887.20 g/mol
Exact Mass2884.68
IUPAC Name6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane
SMILESC.C.CC(C)(C)c1cc2c(s1)C=NC2.CC(C)(C)c1cc2c(s1)N=CC2.CC(C)(C)c1cc2cn[nH]c2s1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CN=N2.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nccnc2c1.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)c1nc2ncccc2[nH]1
InChIInChI=1S/C12H14N2.C12H15N.3C11H14N2.C11H13NO.2C11H13NS.5C10H13N3.2C10H13NS.C9H12N2S.2CH4/c1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*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)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)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;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;4-8,13H,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);7*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,10,11);2*1H4
InChIKeyAZNGWCLRJREDNZ-UHFFFAOYSA-N
XLogP46.62
TPSA379.81 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002887.20
LogP ≤ 546.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane with MolForge

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Launch Full Analysis

Related Compounds

CID 167564541
CID 167564541
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydro-1H-isoindol-1-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157061307
6-methyl-1,2-benzothiazol-3-amine;5-methyl-2H-benzotriazole;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;6-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine
CID 157106826
3-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;4-tert-butyl-1H-indole;4-tert-butylisoquinoline;3-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 157117987
3-tert-butyl-2,1-benzoxazole;5-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-4H-thieno[3,2-b]pyrrole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;decakis(2,2-dimethylpropane);ethane;imidazo[1,5-a]pyridine;tris(1H-indene);3H-indole;indolizine;1H-isoindole;2-methyl-3H-indole;bis(pyrazolo[1,5-a]pyridine)
CID 157130056
6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,1,3-benzothiadiazole;5-propan-2-yl-2,1-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 157185454
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
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;3-methyl-5H-cyclopenta[b]pyridine;3-methyl-5H-cyclopenta[c]pyridine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indazol-3-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methyl-1H-isoindole;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;3-methyl-5H-pyrrolo[3,4-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;5-methyl-3H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,4-c]pyridine
CID 157402732
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline;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
CID 157524323
1,2-di(propan-2-yl)indole;bis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;4,5-di(propan-2-yl)thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-2,5-di(propan-2-yl)triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-2,3-dihydropyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylquinoline;5-propan-2-yl-1H-1,2,4-triazole
CID 157647988
1,2-di(propan-2-yl)indole;bis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;4,5-di(propan-2-yl)thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;methane;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;1-methyl-3,5-di(propan-2-yl)pyrazole;4-methyl-2,5-di(propan-2-yl)triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-2,3-dihydropyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylquinoline;5-propan-2-yl-1H-1,2,4-triazole
CID 157695954
7-methyl-3H-benzo[e]indazole;3-methyl-2H-benzo[g]indazole;3-methyl-4,5-dihydrobenzo[g][1,2]benzoxazole;3-methyl-4,5-dihydrobenzo[g][2,1]benzoxazole;3-methyl-4,5-dihydro-2H-benzo[g]indazole;3-methyl-4,5-dihydropyrazolo[1,5-a]quinoline;2-methylimidazo[2,1-b][1,3]benzothiazole;3-methyltriazolo[1,5-a]quinazoline;3-methyltriazolo[1,5-a]quinoline
CID 157717962

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane?
The IUPAC name of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane (CID 157279739) is 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane.
What is the SMILES notation for 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane?
The canonical SMILES for 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane is C.C.CC(C)(C)c1cc2c(s1)C=NC2.CC(C)(C)c1cc2c(s1)N=CC2.CC(C)(C)c1cc2cn[nH]c2s1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CN=N2.CC(C)(C)c1ccc2cnoc2c1.CC(C)(C)c1ccc2cnsc2c1.CC(C)(C)c1ccc2nccnc2c1.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)c1nc2ncccc2[nH]1.
What is the InChIKey of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane?
The InChIKey is AZNGWCLRJREDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C12H15N.3C11H14N2.C11H13NO.2C11H13NS.5C10H13N3.2C10H13NS.C9H12N2S.2CH4/c1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;2*1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*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)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)8-4-5-9-12-11-7-13(9)6-8;1-10(2,3)8-7-13-6-4-5-11-9(13)12-8;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9;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;4-8,13H,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);7*4-7H,1-3H3;4-6H,1-3H3,(H,11,12,13);4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,10,11);2*1H4.
What are the key properties of 6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane?
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane has a molecular weight of 2887.20 g/mol, XLogP of 46.62, 0 rotatable bonds, 4 hydrogen bond donors, and 33 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-1,2-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;2-tert-butylimidazo[1,2-a]pyrimidine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butylquinoxaline;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[4,3-a]pyridine;methane is sourced from PubChem (CID 157279739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).