2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane

C122H167F2N17O5S2 — CID 159507070

IUPAC2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane
SMILESC.C.C.C.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2cc(C#N)ccc12.CC(C)(C)c1nc2c(s1)C(=O)NC2.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21
InChIInChI=1S/C17H20FNS.C16H16FN3.C15H21NO.C15H21N.C14H20O.C12H13N3.C11H16N2O2.C9H12N4.C9H12N2OS.4CH4/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-9(2,3)8-11-5-4-10-7(12)6(5)13-8;;;;/h7-10,13H,4-6H2,1-3H3;4-9,19H,1-3H3;7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;4-5,7-8H,1-3H3;4,6,8H,5,7H2,1-3H3;4-5,7H,1-3H3;4H2,1-3H3,(H,10,12);4*1H4
InChIKeyMACYRYVDPFGPDK-UHFFFAOYSA-N
MW2053.92 g/mol
LogP30.37
Rot. Bonds5

About 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane

2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane (PubChem CID 159507070) has the molecular formula C122H167F2N17O5S2 and a molecular weight of 2053.92 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane
PubChem CID159507070
Molecular FormulaC122H167F2N17O5S2
Molecular Weight2053.92 g/mol
Exact Mass2052.27
IUPAC Name2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane
SMILESC.C.C.C.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2cc(C#N)ccc12.CC(C)(C)c1nc2c(s1)C(=O)NC2.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21
InChIInChI=1S/C17H20FNS.C16H16FN3.C15H21NO.C15H21N.C14H20O.C12H13N3.C11H16N2O2.C9H12N4.C9H12N2OS.4CH4/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-9(2,3)8-11-5-4-10-7(12)6(5)13-8;;;;/h7-10,13H,4-6H2,1-3H3;4-9,19H,1-3H3;7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;4-5,7-8H,1-3H3;4,6,8H,5,7H2,1-3H3;4-5,7H,1-3H3;4H2,1-3H3,(H,10,12);4*1H4
InChIKeyMACYRYVDPFGPDK-UHFFFAOYSA-N
XLogP30.37
TPSA283.67 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds5
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002053.92
LogP ≤ 530.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 157433408
2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 157935613
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 158755178
1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-methylphenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 159050468
2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 159479792
2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;4-tert-butyl-7-methylsulfinylquinoline;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 159606269
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;4-tert-butyl-7-methylsulfinylquinoline;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;3-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-6-carbonitrile
CID 160694741
2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;4-tert-butyl-7-methylsulfinylquinoline;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 161745994
1-tert-butyl-7-ethylindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 161864503

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane?
The IUPAC name of 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane (CID 159507070) is 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane.
What is the SMILES notation for 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane?
The canonical SMILES for 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane is C.C.C.C.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2cc(C#N)ccc12.CC(C)(C)c1nc2c(s1)C(=O)NC2.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.
What is the InChIKey of 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane?
The InChIKey is MACYRYVDPFGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS.C16H16FN3.C15H21NO.C15H21N.C14H20O.C12H13N3.C11H16N2O2.C9H12N4.C9H12N2OS.4CH4/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-9(2,3)8-11-5-4-10-7(12)6(5)13-8;;;;/h7-10,13H,4-6H2,1-3H3;4-9,19H,1-3H3;7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;4-5,7-8H,1-3H3;4,6,8H,5,7H2,1-3H3;4-5,7H,1-3H3;4H2,1-3H3,(H,10,12);4*1H4.
What are the key properties of 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane?
2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane has a molecular weight of 2053.92 g/mol, XLogP of 30.37, 5 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;methane is sourced from PubChem (CID 159507070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).