2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

C236H345N31O5S10 — CID 157165756

IUPAC2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)C1=NC=CC1.CC(C)(C)CCC(=O)N1CCCCC1.CC(C)(C)CCN1CCNCC1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccsc1.CC(C)(C)c1[nH]cc2c1CCS2.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccc2c1C(=O)NC2=O.CC(C)(C)c1cccc2c1CNCC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CNCC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncns1.CC(C)(C)c1nncs1
InChIInChI=1S/C13H19N.C12H14N2.C12H13NO2.C12H15NO.C12H23NO.C12H15N.C11H14N2.C11H13NO.C11H13NS.C11H17NS.C11H13NS.C10H16N2S.C10H22N2.C10H15NS.C9H14N2.2C9H14S.2C8H12N2.2C8H13N.C7H11NS.2C6H10N2S/c1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)8-6-4-5-7-9(8)11(15)13-10(7)14;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)8-7-11(14)13-9-5-4-6-10-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;2*1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)4-7-12-8-5-11-6-9-12;1-10(2,3)9-7-4-5-12-8(7)6-11-9;1-9(2,3)7-8-5-4-6-10-11-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5/h4-6,14H,7-9H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3,(H,13,14,15);4-6H,7H2,1-3H3,(H,13,14);4-10H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;11H,4-6H2,1-3H3;11H,4-9H2,1-3H3;6,11H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-6H,1-3H3;4,6H,5H2,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyAMWRQOYSMSUXQR-UHFFFAOYSA-N
MW4017.24 g/mol
LogP61.93
Rot. Bonds7

About 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (PubChem CID 157165756) has the molecular formula C236H345N31O5S10 and a molecular weight of 4017.24 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
PubChem CID157165756
Molecular FormulaC236H345N31O5S10
Molecular Weight4017.24 g/mol
Exact Mass4013.49
IUPAC Name2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)C1=NC=CC1.CC(C)(C)CCC(=O)N1CCCCC1.CC(C)(C)CCN1CCNCC1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccsc1.CC(C)(C)c1[nH]cc2c1CCS2.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccc2c1C(=O)NC2=O.CC(C)(C)c1cccc2c1CNCC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CNCC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncns1.CC(C)(C)c1nncs1
InChIInChI=1S/C13H19N.C12H14N2.C12H13NO2.C12H15NO.C12H23NO.C12H15N.C11H14N2.C11H13NO.C11H13NS.C11H17NS.C11H13NS.C10H16N2S.C10H22N2.C10H15NS.C9H14N2.2C9H14S.2C8H12N2.2C8H13N.C7H11NS.2C6H10N2S/c1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)8-6-4-5-7-9(8)11(15)13-10(7)14;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)8-7-11(14)13-9-5-4-6-10-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;2*1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)4-7-12-8-5-11-6-9-12;1-10(2,3)9-7-4-5-12-8(7)6-11-9;1-9(2,3)7-8-5-4-6-10-11-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5/h4-6,14H,7-9H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3,(H,13,14,15);4-6H,7H2,1-3H3,(H,13,14);4-10H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;11H,4-6H2,1-3H3;11H,4-9H2,1-3H3;6,11H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-6H,1-3H3;4,6H,5H2,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3;2*4H,1-3H3
InChIKeyAMWRQOYSMSUXQR-UHFFFAOYSA-N
XLogP61.93
TPSA457.10 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds7
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004017.24
LogP ≤ 561.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene with MolForge

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Launch Full Analysis

Related Compounds

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-1,2-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
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;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;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
CID 160156765
CID 160156765
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
1-cyclopentyl-3-propan-2-ylbenzene;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;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161770467
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;3-tert-butylquinoline;6-tert-butylquinoline;2,4-dimethylpentane;2-(2,2-dimethylpropyl)pyridine;2-methylpropylcyclopropane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;4-propan-2-yl-3H-pyrrole;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-4H-triazole;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide;2,2,3-trimethylbutane;N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165109275
CID 167631189
CID 167631189

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (CID 157165756) is 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is CC(C)(C)C1=NC=CC1.CC(C)(C)CCC(=O)N1CCCCC1.CC(C)(C)CCN1CCNCC1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccsc1.CC(C)(C)c1[nH]cc2c1CCS2.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc[nH]1.CC(C)(C)c1cccc2c1C(=O)NC2=O.CC(C)(C)c1cccc2c1CNCC2.CC(C)(C)c1cccc2c1NC(=O)C2.CC(C)(C)c1cccc2nccnc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1cccc2scnc12.CC(C)(C)c1cnc2ccccn12.CC(C)(C)c1cnccn1.CC(C)(C)c1cscn1.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2c(s1)CNCC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncns1.CC(C)(C)c1nncs1.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
The InChIKey is AMWRQOYSMSUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H14N2.C12H13NO2.C12H15NO.C12H23NO.C12H15N.C11H14N2.C11H13NO.C11H13NS.C11H17NS.C11H13NS.C10H16N2S.C10H22N2.C10H15NS.C9H14N2.2C9H14S.2C8H12N2.2C8H13N.C7H11NS.2C6H10N2S/c1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)8-6-4-5-7-9(8)11(15)13-10(7)14;1-12(2,3)9-6-4-5-8-7-10(14)13-11(8)9;1-12(2,3)8-7-11(14)13-9-5-4-6-10-13;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-8-12-10-6-4-5-7-13(9)10;2*1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)4-7-12-8-5-11-6-9-12;1-10(2,3)9-7-4-5-12-8(7)6-11-9;1-9(2,3)7-8-5-4-6-10-11-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-8-9-5/h4-6,14H,7-9H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3,(H,13,14,15);4-6H,7H2,1-3H3,(H,13,14);4-10H2,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;11H,4-6H2,1-3H3;11H,4-9H2,1-3H3;6,11H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-6H,1-3H3;4,6H,5H2,1-3H3;4-6,9H,1-3H3;4-5H,1-3H3;2*4H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene has a molecular weight of 4017.24 g/mol, XLogP of 61.93, 7 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzothiazole;4-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-3,5-dihydro-2H-thieno[2,3-c]pyrrole;3-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-1H-indole;4-tert-butylisoindole-1,3-dione;2-tert-butylpyrazine;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;2-tert-butyl-3H-pyrrole;5-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;8-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,2,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-(3,3-dimethylbutyl)piperazine;4,4-dimethyl-1-piperidin-1-ylpentan-1-one;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 157165756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).