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

C232H358F3N27O3S — CID 165109275

IUPAC2-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
SMILESCC(=O)NC(C(C)C)C(C)(C)C.CC(C)(C)Cc1ccccn1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2cccnc2c1.CC(C)(C)c1cnc2cnccc2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)C(C)(C)C.CC(C)C(NC(=O)C(F)(F)F)C(C)(C)C.CC(C)C1=CN=CC1.CC(C)C1=NN=NC1.CC(C)C1=Nc2cccnc2C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(C)C.CC(C)CC1CC1.CC(C)N1CCCC1
InChIInChI=1S/2C13H15N.3C12H14N2.2C11H14N2.C11H13NO.C11H13NS.C10H18F3NO.C10H12N2.C10H21NO.C10H15N.C9H13N.C9H18.C8H16.C7H12N2.C7H11N.C7H15N.2C7H14.2C7H16.C6H12.C5H9N3/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-6(2)7(9(3,4)5)14-8(15)10(11,12)13;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9(10(4,5)6)11-8(3)12;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2,3)6-4-8-9-5-6;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)5-7-3-4-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5(2)6-3-4-6;1-4(2)5-3-6-8-7-5/h2*4-9H,1-3H3;3*4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;6-7H,1-5H3,(H,14,15);3-5,7H,6H2,1-2H3;7,9H,1-6H3,(H,11,12);4-7H,8H2,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3
InChIKeyZRFBTRFHLXERJY-UHFFFAOYSA-N
MW3662.66 g/mol
LogP65.21
Rot. Bonds17

About 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

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 (PubChem CID 165109275) has the molecular formula C232H358F3N27O3S and a molecular weight of 3662.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID165109275
Molecular FormulaC232H358F3N27O3S
Molecular Weight3662.66 g/mol
Exact Mass3659.84
IUPAC Name2-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
SMILESCC(=O)NC(C(C)C)C(C)(C)C.CC(C)(C)Cc1ccccn1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2cccnc2c1.CC(C)(C)c1cnc2cnccc2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)C(C)(C)C.CC(C)C(NC(=O)C(F)(F)F)C(C)(C)C.CC(C)C1=CN=CC1.CC(C)C1=NN=NC1.CC(C)C1=Nc2cccnc2C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(C)C.CC(C)CC1CC1.CC(C)N1CCCC1
InChIInChI=1S/2C13H15N.3C12H14N2.2C11H14N2.C11H13NO.C11H13NS.C10H18F3NO.C10H12N2.C10H21NO.C10H15N.C9H13N.C9H18.C8H16.C7H12N2.C7H11N.C7H15N.2C7H14.2C7H16.C6H12.C5H9N3/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-6(2)7(9(3,4)5)14-8(15)10(11,12)13;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9(10(4,5)6)11-8(3)12;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2,3)6-4-8-9-5-6;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)5-7-3-4-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5(2)6-3-4-6;1-4(2)5-3-6-8-7-5/h2*4-9H,1-3H3;3*4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;6-7H,1-5H3,(H,14,15);3-5,7H,6H2,1-2H3;7,9H,1-6H3,(H,11,12);4-7H,8H2,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3
InChIKeyZRFBTRFHLXERJY-UHFFFAOYSA-N
XLogP65.21
TPSA367.23 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003662.66
LogP ≤ 565.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;2-tert-butyl-3-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2-cyclopropylimidazo[1,2-b]pyridazine;2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylimidazo[1,2-a]pyrazine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 158333268
CID 158633368
CID 158633368
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
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 160389507
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC(C(C)C)C(C)(C)C.CC(C)(C)Cc1ccccn1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncccc2n1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn2nccc2c1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2cccnc2c1.CC(C)(C)c1cnc2cnccc2c1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)C(C)(C)C.CC(C)C(NC(=O)C(F)(F)F)C(C)(C)C.CC(C)C1=CN=CC1.CC(C)C1=NN=NC1.CC(C)C1=Nc2cccnc2C1.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(C)C.CC(C)CC1CC1.CC(C)N1CCCC1.
What is the InChIKey of 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?
The InChIKey is ZRFBTRFHLXERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15N.3C12H14N2.2C11H14N2.C11H13NO.C11H13NS.C10H18F3NO.C10H12N2.C10H21NO.C10H15N.C9H13N.C9H18.C8H16.C7H12N2.C7H11N.C7H15N.2C7H14.2C7H16.C6H12.C5H9N3/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-6-9-4-5-13-8-11(9)14-7-10;1-12(2,3)11-7-6-9-10(14-11)5-4-8-13-9;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11;1-11(2,3)9-5-7-13-10(8-9)4-6-12-13;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-6(2)7(9(3,4)5)14-8(15)10(11,12)13;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)9(10(4,5)6)11-8(3)12;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2,3)6-4-8-9-5-6;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8;1-6(2)5-7-3-4-7;1-6(2)7-4-3-5-7;1-6(2)7(3,4)5;1-6(2)5-7(3)4;1-5(2)6-3-4-6;1-4(2)5-3-6-8-7-5/h2*4-9H,1-3H3;3*4-8H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;6-7H,1-5H3,(H,14,15);3-5,7H,6H2,1-2H3;7,9H,1-6H3,(H,11,12);4-7H,8H2,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;4-5H,1-3H3,(H,8,9);4-6H,3H2,1-2H3;7H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3;6H,1-5H3;6-7H,5H2,1-4H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3662.66 g/mol, XLogP of 65.21, 17 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165109275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).