2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

C97H127N11O3S2 — CID 159774359

IUPAC2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESC.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccn2cnnc12.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccn2n1.COC(=O)N1CCc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C15H21NO2.C13H19N.C13H15N.C13H16O.2C11H13NS.2C10H13N3.CH4/c1-15(2,3)13-6-5-12-10-16(14(17)18-4)8-7-11(12)9-13;2*1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-5-4-6-13-7-11-12-9(8)13;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;/h5-6,9H,7-8,10H2,1-4H3;4-5,8,14H,6-7,9H2,1-3H3;4-9H,1-3H3;4,6,8H,5,7H2,1-3H3;4*4-7H,1-3H3;1H4
InChIKeyNGNPWJDVOMPAPP-UHFFFAOYSA-N
MW1559.29 g/mol
LogP24.26
Rot. Bonds

About 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 159774359) has the molecular formula C97H127N11O3S2 and a molecular weight of 1559.29 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
PubChem CID159774359
Molecular FormulaC97H127N11O3S2
Molecular Weight1559.29 g/mol
Exact Mass1557.96
IUPAC Name2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
SMILESC.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccn2cnnc12.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccn2n1.COC(=O)N1CCc2cc(C(C)(C)C)ccc2C1
InChIInChI=1S/C15H21NO2.C13H19N.C13H15N.C13H16O.2C11H13NS.2C10H13N3.CH4/c1-15(2,3)13-6-5-12-10-16(14(17)18-4)8-7-11(12)9-13;2*1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-5-4-6-13-7-11-12-9(8)13;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;/h5-6,9H,7-8,10H2,1-4H3;4-5,8,14H,6-7,9H2,1-3H3;4-9H,1-3H3;4,6,8H,5,7H2,1-3H3;4*4-7H,1-3H3;1H4
InChIKeyNGNPWJDVOMPAPP-UHFFFAOYSA-N
XLogP24.26
TPSA157.69 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001559.29
LogP ≤ 524.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 157645058
3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;2-fluoro-4-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;6-[1-fluoro-1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;2-fluoro-4-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide;3-[3-[fluoro-(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[fluoro-[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159376429
3-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;N-ethyl-2-fluoro-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-N-methyl-4-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159522818
6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 161004970
7-tert-butyl-4H-1,4-benzothiazin-3-one;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 157453065
7-tert-butyl-4H-1,4-benzothiazin-3-one;2-tert-butyl-3,4-dihydro-1H-isoquinoline;6-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;7-tert-butyl-3,4-dihydro-2H-isoquinolin-1-one;6-tert-butyl-2,3-dihydrophthalazine-1,4-dione;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indene;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylisoquinoline;6-tert-butyl-2H-isoquinolin-1-one;7-tert-butyl-2H-isoquinolin-1-one;6-tert-butyl-1H-quinolin-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 157611614
5,7-difluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;7-fluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;7-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 157809550
3-[(4-amino-3-ethenylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-2-(2-fluorophenyl)-8-methylisoquinolin-1-one;N-[6-[4-amino-1-[(2-ethyl-8-methyl-1-oxoisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[[2-(3-fluorophenyl)-8-methyl-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide
CID 158046640
3-[3-[(1R)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1S)-1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3-[3-[(1S)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[3-[(1R)-1-quinolin-6-ylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 158379941
6-tert-butyl-3H-1,3-benzothiazol-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazol-3-amine;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinolin-3-amine;6-tert-butylisoquinoline;5-tert-butyl-N-methyl-1H-indazol-3-amine;6-tert-butyl-1-methylindazol-3-amine;5-tert-butyl-3-methyl-2H-indazole;6-tert-butyl-N-methylisoquinolin-3-amine;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;6-tert-butyl-2H-phthalazin-1-one;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
CID 158600204
6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyltetrazolo[1,5-a]pyridine;7-tert-butyltetrazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;2,2-dimethylpentane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutanoic acid
CID 158674694
3-(2,3-dihydro-1H-inden-5-ylmethyl)-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;3-[(4-methylphenyl)methyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;2-methyl-6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;2-propyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,3-thiazole;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 158896821

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 159774359) is 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is C.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cccn2cnnc12.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccn2n1.COC(=O)N1CCc2cc(C(C)(C)C)ccc2C1.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
The InChIKey is NGNPWJDVOMPAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C13H19N.C13H15N.C13H16O.2C11H13NS.2C10H13N3.CH4/c1-15(2,3)13-6-5-12-10-16(14(17)18-4)8-7-11(12)9-13;2*1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-5-4-6-13-7-11-12-9(8)13;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;/h5-6,9H,7-8,10H2,1-4H3;4-5,8,14H,6-7,9H2,1-3H3;4-9H,1-3H3;4,6,8H,5,7H2,1-3H3;4*4-7H,1-3H3;1H4.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate?
2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 1559.29 g/mol, XLogP of 24.26, 0 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 159774359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).