4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine

C99H125N25OS2 — CID 157264548

IUPAC4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncnc2c1C=CC2.CC(C)c1ncnc2c1C=NC2.CC(C)c1ncnc2c1ccn2C.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cn[nH]c12.Cc1cccc2sc(C(C)C)nc12
InChIInChI=1S/C11H13NS.C10H13N3.2C10H12N2.C10H11NO.C10H11NS.C9H12N4.C9H11N3.C8H10N4.2C6H10N2/c1-7(2)11-12-10-8(3)5-4-6-9(10)13-11;1-7(2)9-8-4-5-13(3)10(8)12-6-11-9;1-7(2)10-8-4-3-5-9(8)11-6-12-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-5(2)7-8-6(3-11-12-8)9-4-10-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h2*4-7H,1-3H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;4-6H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,11,12);2*3-5H,1-2H3,(H,7,8)
InChIKeyAXVREKPXPVVWER-UHFFFAOYSA-N
MW1745.40 g/mol
LogP24.61
Rot. Bonds11

About 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine

4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine (PubChem CID 157264548) has the molecular formula C99H125N25OS2 and a molecular weight of 1745.40 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
PubChem CID157264548
Molecular FormulaC99H125N25OS2
Molecular Weight1745.40 g/mol
Exact Mass1743.99
IUPAC Name4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
SMILESCC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncnc2c1C=CC2.CC(C)c1ncnc2c1C=NC2.CC(C)c1ncnc2c1ccn2C.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cn[nH]c12.Cc1cccc2sc(C(C)C)nc12
InChIInChI=1S/C11H13NS.C10H13N3.2C10H12N2.C10H11NO.C10H11NS.C9H12N4.C9H11N3.C8H10N4.2C6H10N2/c1-7(2)11-12-10-8(3)5-4-6-9(10)13-11;1-7(2)9-8-4-5-13(3)10(8)12-6-11-9;1-7(2)10-8-4-3-5-9(8)11-6-12-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-5(2)7-8-6(3-11-12-8)9-4-10-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h2*4-7H,1-3H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;4-6H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,11,12);2*3-5H,1-2H3,(H,7,8)
InChIKeyAXVREKPXPVVWER-UHFFFAOYSA-N
XLogP24.61
TPSA330.54 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001745.40
LogP ≤ 524.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine 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
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
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
3-bromo-5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butyl-3-chloro-1,2,4-thiadiazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4-cyclopropyl-1,3-thiazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;2-tert-butyl-4-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-5-methyl-4-(trifluoromethyl)-1,3-thiazole;5-tert-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-propan-2-yl-1,3-thiazole;5-tert-butyl-1,2,4-thiadiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-thiazole
CID 157884927
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
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
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);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;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
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-cyclopropyl-1,3-thiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;tris(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-5-methyl-4-(trifluoromethyl)-1,3-thiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-thiazole
CID 159932616
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
2,3-dimethyl-1,3-benzothiazol-3-ium;2,3-dimethyl-2H-1,3-benzoxazole;2,3-dimethyl-1,3-oxazol-3-ium;1,2-dimethylpyrimidin-1-ium;1,2-dimethyl-5-(trifluoromethyl)pyridin-1-ium;3-methyldithiol-1-ium;2-methyl-1,3-oxazole;2-methylpyrylium;2-methylthiopyrylium;1,2,3-trimethylbenzimidazol-3-ium;1,2,3-trimethyl-2H-imidazole-1,3-diium;1,2,3-trimethylpyrazol-1-ium;1,4,5-trimethyl-1,2,4-triazol-4-ium
CID 160116091

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine (CID 157264548) is 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine is CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1ncnc2c1C=CC2.CC(C)c1ncnc2c1C=NC2.CC(C)c1ncnc2c1ccn2C.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cn[nH]c12.Cc1cccc2sc(C(C)C)nc12.
What is the InChIKey of 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is AXVREKPXPVVWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS.C10H13N3.2C10H12N2.C10H11NO.C10H11NS.C9H12N4.C9H11N3.C8H10N4.2C6H10N2/c1-7(2)11-12-10-8(3)5-4-6-9(10)13-11;1-7(2)9-8-4-5-13(3)10(8)12-6-11-9;1-7(2)10-8-4-3-5-9(8)11-6-12-10;3*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8;1-6(2)9-7-3-10-4-8(7)11-5-12-9;1-5(2)7-8-6(3-11-12-8)9-4-10-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h2*4-7H,1-3H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3;4-6H,1-3H3;3,5-6H,4H2,1-2H3;3-5H,1-2H3,(H,11,12);2*3-5H,1-2H3,(H,7,8).
What are the key properties of 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine?
4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 1745.40 g/mol, XLogP of 24.61, 11 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 157264548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).