1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole

C255H365N33O4S4 — CID 158764582

IUPAC1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole
SMILESC1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nccc2ccccc12.Cn1c(C(C)(C)C)nc2ccccc21.Cn1cnc2ccccc21.c1c[nH]cn1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C12H16N2.C12H13N.C11H14N2.C11H13NO.C11H13NS.C10H14.4C9H7N.C9H13N.C8H8N2.4C8H12N2.C8H7N.C7H12N2.C7H5NO.C7H11NO.C7H5NS.C7H11NS.7C5H12.4C4H10.C3H4N2.C3H3NO.C3H3NS/c1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-9(2,3)8-6-4-5-7-10-8;1-10-6-9-7-4-2-3-5-8(7)10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-2-4-8-7(3-1)5-6-9-8;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;7*1-5(2,3)4;4*1-4(2)3;3*1-2-5-3-4-1/h5-8H,1-4H3;3-9H,1-2H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-8H,1-3H3;4*1-7H;4-7H,1-3H3;2-6H,1H3;4*4-6H,1-3H3;1-4,6H,5H2;4-5H,1-3H3,(H,8,9);1-5H;4-5H,1-3H3;1-5H;4-5H,1-3H3;7*1-4H3;4*4H,1-3H3;1-3H,(H,4,5);2*1-3H
InChIKeyIPCBUIDJLCBTBE-UHFFFAOYSA-N
MW4085.22 g/mol
LogP74.21
Rot. Bonds1

About 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole

1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole (PubChem CID 158764582) has the molecular formula C255H365N33O4S4 and a molecular weight of 4085.22 g/mol. Its IUPAC name is 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole.

Molecular Properties

Compound Name1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole
PubChem CID158764582
Molecular FormulaC255H365N33O4S4
Molecular Weight4085.22 g/mol
Exact Mass4081.83
IUPAC Name1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole
SMILESC1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nccc2ccccc12.Cn1c(C(C)(C)C)nc2ccccc21.Cn1cnc2ccccc21.c1c[nH]cn1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1
InChIInChI=1S/C12H16N2.C12H13N.C11H14N2.C11H13NO.C11H13NS.C10H14.4C9H7N.C9H13N.C8H8N2.4C8H12N2.C8H7N.C7H12N2.C7H5NO.C7H11NO.C7H5NS.C7H11NS.7C5H12.4C4H10.C3H4N2.C3H3NO.C3H3NS/c1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-9(2,3)8-6-4-5-7-10-8;1-10-6-9-7-4-2-3-5-8(7)10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-2-4-8-7(3-1)5-6-9-8;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;7*1-5(2,3)4;4*1-4(2)3;3*1-2-5-3-4-1/h5-8H,1-4H3;3-9H,1-2H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-8H,1-3H3;4*1-7H;4-7H,1-3H3;2-6H,1H3;4*4-6H,1-3H3;1-4,6H,5H2;4-5H,1-3H3,(H,8,9);1-5H;4-5H,1-3H3;1-5H;4-5H,1-3H3;7*1-4H3;4*4H,1-3H3;1-3H,(H,4,5);2*1-3H
InChIKeyIPCBUIDJLCBTBE-UHFFFAOYSA-N
XLogP74.21
TPSA470.18 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds1
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004085.22
LogP ≤ 574.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Analyze 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;tetrakis(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157130984
4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;dibenzofuran;dibenzothiophene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;ethane;9H-fluorene;furan;bis(1H-indole);1-methylimidazole;1-methylindole;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;triazine;1,3,5-triazine
CID 157518381
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
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
5-(azepan-1-ylmethyl)-2-methyl-1,3-thiazole;4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 158180810
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole?
The IUPAC name of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole (CID 158764582) is 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole.
What is the SMILES notation for 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole?
The canonical SMILES for 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole is C1=Nc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1nccc2ccccc12.Cn1c(C(C)(C)C)nc2ccccc21.Cn1cnc2ccccc21.c1c[nH]cn1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cocn1.c1cscn1.
What is the InChIKey of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole?
The InChIKey is IPCBUIDJLCBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H13N.C11H14N2.C11H13NO.C11H13NS.C10H14.4C9H7N.C9H13N.C8H8N2.4C8H12N2.C8H7N.C7H12N2.C7H5NO.C7H11NO.C7H5NS.C7H11NS.7C5H12.4C4H10.C3H4N2.C3H3NO.C3H3NS/c1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-7-5-4-6-8-9;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-9(2,3)8-6-4-5-7-10-8;1-10-6-9-7-4-2-3-5-8(7)10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-2-4-8-7(3-1)5-6-9-8;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-7(2,3)6-8-4-5-9-6;7*1-5(2,3)4;4*1-4(2)3;3*1-2-5-3-4-1/h5-8H,1-4H3;3-9H,1-2H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;4-8H,1-3H3;4*1-7H;4-7H,1-3H3;2-6H,1H3;4*4-6H,1-3H3;1-4,6H,5H2;4-5H,1-3H3,(H,8,9);1-5H;4-5H,1-3H3;1-5H;4-5H,1-3H3;7*1-4H3;4*4H,1-3H3;1-3H,(H,4,5);2*1-3H.
What are the key properties of 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole?
1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole has a molecular weight of 4085.22 g/mol, XLogP of 74.21, 1 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;heptakis(2,2-dimethylpropane);1H-imidazole;3H-indole;isoquinoline;1-methylbenzimidazole;tetrakis(2-methylpropane);1,3-oxazole;1-propan-2-ylisoquinoline;quinoline;1,3-thiazole is sourced from PubChem (CID 158764582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).