tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine

C209H359N33O3S12 — CID 159261635

IUPACtert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine
SMILESCC(=O)Nc1nc(C(C)(C)C)cs1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCc2ccccc21.CC(C)(C)Nc1nc(C(C)(C)C)cs1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1csc(N)n1.CC(C)(C)c1cscn1.CC(C)Nc1nc(C(C)(C)C)cs1.CC1CCN(C(C)(C)C)CC1.CCNc1nc(C(C)(C)C)cs1.CCc1nc(C(C)(C)C)cs1.CN1CCN(C(C)(C)C)CC1.CNc1nc(C(C)(C)C)cs1.COC1CCN(C(C)(C)C)CC1.Cc1nc(-c2nc(C(C)(C)C)cs2)cs1.Cc1nc(C(C)(C)C)cs1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C12H17N.C11H14N2S2.C11H20N2S.C11H20N2.C10H18N2S.C10H21NO.C10H21N.C10H14.C9H14N2OS.C9H16N2S.C9H20N2.C9H15NS.C9H13N.C9H19N.C8H14N2S.C8H14N2.2C8H12N2.C8H17NO.C8H13NS.C8H12S.C7H12N2S.C7H11NS/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-7-12-8(5-14-7)10-13-9(6-15-10)11(2,3)4;1-10(2,3)8-7-14-9(12-8)13-11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-7(2)11-9-12-8(6-13-9)10(3,4)5;1-10(2,3)11-7-5-9(12-4)6-8-11;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-6(12)10-8-11-7(5-13-8)9(2,3)4;1-5-10-8-11-7(6-12-8)9(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-5-8-10-7(6-11-8)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)6-5-11-7(9-4)10-6;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-6-9-7(5-10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)6-4-9-5-8-6/h4-7H,8-9H2,1-3H3;5-6H,1-4H3;7H,1-6H3,(H,12,13);7-8H,1-6H3;6-7H,1-5H3,(H,11,12);9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-8H,1-3H3;5H,1-4H3,(H,10,11,12);6H,5H2,1-4H3,(H,10,11);5-8H2,1-4H3;6H,5H2,1-4H3;4-7H,1-3H3;4-8H2,1-3H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-6H,1-3H3;4H,1-3H3,(H2,8,9);4-5H,1-3H3
InChIKeyKWOVLJFMASDBMG-UHFFFAOYSA-N
MW3767.20 g/mol
LogP57.04
Rot. Bonds10

About tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine

tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine (PubChem CID 159261635) has the molecular formula C209H359N33O3S12 and a molecular weight of 3767.20 g/mol. Its IUPAC name is tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nametert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine
PubChem CID159261635
Molecular FormulaC209H359N33O3S12
Molecular Weight3767.20 g/mol
Exact Mass3763.56
IUPAC Nametert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine
SMILESCC(=O)Nc1nc(C(C)(C)C)cs1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCc2ccccc21.CC(C)(C)Nc1nc(C(C)(C)C)cs1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1csc(N)n1.CC(C)(C)c1cscn1.CC(C)Nc1nc(C(C)(C)C)cs1.CC1CCN(C(C)(C)C)CC1.CCNc1nc(C(C)(C)C)cs1.CCc1nc(C(C)(C)C)cs1.CN1CCN(C(C)(C)C)CC1.CNc1nc(C(C)(C)C)cs1.COC1CCN(C(C)(C)C)CC1.Cc1nc(-c2nc(C(C)(C)C)cs2)cs1.Cc1nc(C(C)(C)C)cs1.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C12H17N.C11H14N2S2.C11H20N2S.C11H20N2.C10H18N2S.C10H21NO.C10H21N.C10H14.C9H14N2OS.C9H16N2S.C9H20N2.C9H15NS.C9H13N.C9H19N.C8H14N2S.C8H14N2.2C8H12N2.C8H17NO.C8H13NS.C8H12S.C7H12N2S.C7H11NS/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-7-12-8(5-14-7)10-13-9(6-15-10)11(2,3)4;1-10(2,3)8-7-14-9(12-8)13-11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-7(2)11-9-12-8(6-13-9)10(3,4)5;1-10(2,3)11-7-5-9(12-4)6-8-11;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-6(12)10-8-11-7(5-13-8)9(2,3)4;1-5-10-8-11-7(6-12-8)9(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-5-8-10-7(6-11-8)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)6-5-11-7(9-4)10-6;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-6-9-7(5-10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)6-4-9-5-8-6/h4-7H,8-9H2,1-3H3;5-6H,1-4H3;7H,1-6H3,(H,12,13);7-8H,1-6H3;6-7H,1-5H3,(H,11,12);9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-8H,1-3H3;5H,1-4H3,(H,10,11,12);6H,5H2,1-4H3,(H,10,11);5-8H2,1-4H3;6H,5H2,1-4H3;4-7H,1-3H3;4-8H2,1-3H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-6H,1-3H3;4H,1-3H3,(H2,8,9);4-5H,1-3H3
InChIKeyKWOVLJFMASDBMG-UHFFFAOYSA-N
XLogP57.04
TPSA386.26 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds10
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003767.20
LogP ≤ 557.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Analyze tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine?
The IUPAC name of tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine (CID 159261635) is tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine is CC(=O)Nc1nc(C(C)(C)C)cs1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)N1CCc2ccccc21.CC(C)(C)Nc1nc(C(C)(C)C)cs1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1csc(N)n1.CC(C)(C)c1cscn1.CC(C)Nc1nc(C(C)(C)C)cs1.CC1CCN(C(C)(C)C)CC1.CCNc1nc(C(C)(C)C)cs1.CCc1nc(C(C)(C)C)cs1.CN1CCN(C(C)(C)C)CC1.CNc1nc(C(C)(C)C)cs1.COC1CCN(C(C)(C)C)CC1.Cc1nc(-c2nc(C(C)(C)C)cs2)cs1.Cc1nc(C(C)(C)C)cs1.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine?
The InChIKey is KWOVLJFMASDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C11H14N2S2.C11H20N2S.C11H20N2.C10H18N2S.C10H21NO.C10H21N.C10H14.C9H14N2OS.C9H16N2S.C9H20N2.C9H15NS.C9H13N.C9H19N.C8H14N2S.C8H14N2.2C8H12N2.C8H17NO.C8H13NS.C8H12S.C7H12N2S.C7H11NS/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-7-12-8(5-14-7)10-13-9(6-15-10)11(2,3)4;1-10(2,3)8-7-14-9(12-8)13-11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-7(2)11-9-12-8(6-13-9)10(3,4)5;1-10(2,3)11-7-5-9(12-4)6-8-11;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-6(12)10-8-11-7(5-13-8)9(2,3)4;1-5-10-8-11-7(6-12-8)9(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-5-8-10-7(6-11-8)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)6-5-11-7(9-4)10-6;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9;1-6-9-7(5-10-6)8(2,3)4;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)6-4-9-5-8-6/h4-7H,8-9H2,1-3H3;5-6H,1-4H3;7H,1-6H3,(H,12,13);7-8H,1-6H3;6-7H,1-5H3,(H,11,12);9H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-8H,1-3H3;5H,1-4H3,(H,10,11,12);6H,5H2,1-4H3,(H,10,11);5-8H2,1-4H3;6H,5H2,1-4H3;4-7H,1-3H3;4-8H2,1-3H3;5H,1-4H3,(H,9,10);5-6H,1-4H3;2*4-6H,1-3H3;4-7H2,1-3H3;5H,1-4H3;4-6H,1-3H3;4H,1-3H3,(H2,8,9);4-5H,1-3H3.
What are the key properties of tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine?
tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine has a molecular weight of 3767.20 g/mol, XLogP of 57.04, 10 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;1-tert-butyl-2,3-dihydroindole;4-tert-butyl-N-ethyl-1,3-thiazol-2-amine;4-tert-butyl-2-ethyl-1,3-thiazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;4-tert-butyl-1-methylpyrazole;4-tert-butyl-N-methyl-1,3-thiazol-2-amine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-tert-butylmorpholine;1-tert-butylpiperidine;4-tert-butyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyrimidine;4-tert-butyl-1,3-thiazol-2-amine;4-tert-butyl-1,3-thiazole;N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide;2-tert-butylthiophene;1,4-ditert-butylpyrazole;N,4-ditert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 159261635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).