2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine

C79H113F3N14O5S — CID 160783516

IUPAC2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(C(N)=O)nc1.CC(C)(C)c1ccnnc1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncco1.Cc1nccn1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C11H13NO.C11H13NS.C10H12F3N.C10H14N2O.C8H14N2.C8H12N2.2C7H12N2O.C7H11NO/c2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-4-5-8(9(11)13)12-6-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-10-6-7;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6/h2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,11,13);5-6H,1-4H3;4-6H,1-3H3;2*1-4H3;4-5H,1-3H3
InChIKeySAWZLYYGMQVICO-UHFFFAOYSA-N
MW1427.93 g/mol
LogP20.64
Rot. Bonds1

About 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 160783516) has the molecular formula C79H113F3N14O5S and a molecular weight of 1427.93 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine
PubChem CID160783516
Molecular FormulaC79H113F3N14O5S
Molecular Weight1427.93 g/mol
Exact Mass1426.87
IUPAC Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(C(N)=O)nc1.CC(C)(C)c1ccnnc1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncco1.Cc1nccn1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C11H13NO.C11H13NS.C10H12F3N.C10H14N2O.C8H14N2.C8H12N2.2C7H12N2O.C7H11NO/c2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-4-5-8(9(11)13)12-6-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-10-6-7;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6/h2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,11,13);5-6H,1-4H3;4-6H,1-3H3;2*1-4H3;4-5H,1-3H3
InChIKeySAWZLYYGMQVICO-UHFFFAOYSA-N
XLogP20.64
TPSA255.26 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds1
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001427.93
LogP ≤ 520.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine 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

N-[2-[1-[4-[[2-[[3-[[4-[4-[5-(3-acetamidophenyl)-1,3-thiazol-2-yl]pyridine-2-carbonyl]piperazin-1-yl]-(2-methyltetrazol-5-yl)methyl]phenyl]methyl]tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-2-(trifluoromethyl)imidazol-4-yl]-1,3-benzoxazol-5-yl]acetamide
CID 156111374
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 157838250
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
cumene;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-ylfuran;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-3H-pyrrole;3-methyl-1-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158110433
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 158365916
cumene;3-isocyano-2-propan-2-ylpyridine;methane;5-methylidene-3-propan-2-ylpyrrolidin-2-one;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;bis(4-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-4H-imidazole;3-propan-2-yl-4H-1,2-oxazol-5-one;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 158490789
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 158711469
CID 158717243
CID 158717243
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159414944
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine (CID 160783516) is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(C(N)=O)nc1.CC(C)(C)c1ccnnc1.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncco1.Cc1nccn1C(C)(C)C.Cc1nnc(C(C)(C)C)o1.Cc1noc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine?
The InChIKey is SAWZLYYGMQVICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C11H13NS.C10H12F3N.C10H14N2O.C8H14N2.C8H12N2.2C7H12N2O.C7H11NO/c2*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-4-5-8(9(11)13)12-6-7;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)7-4-5-9-10-6-7;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-8-4-5-9-6/h2*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3,(H2,11,13);5-6H,1-4H3;4-6H,1-3H3;2*1-4H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine?
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 1427.93 g/mol, XLogP of 20.64, 1 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;5-tert-butylpyridine-2-carboxamide;5-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160783516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).