3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate

C136H207BrClN21O6S6 — CID 157068208

IUPAC3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)C1CCSC1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)nc1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1ncc(-c2cnco2)s1.CCN(CC)c1ccc(C(C)(C)C)cn1.CCN(CC)c1cncc(C(C)(C)C)c1.CCN(CC)c1ncc(C(C)(C)C)cc1Br.CCN(CC)c1ncc(C(C)(C)C)cn1.CCOC(=O)c1sc(C(C)(C)C)nc1C.Cc1nc(-c2cnc(C(C)(C)C)s2)cs1
InChIInChI=1S/C15H17NO.C13H21BrN2.C13H20N2O.2C13H22N2.C12H21N3.C11H14N2S2.C11H17NO2S.C10H12N2OS.C9H14N2OS.C8H11ClN2.C8H16S/c1-15(2,3)12-9-10-14(16-11-12)17-13-7-5-4-6-8-13;1-6-16(7-2)12-11(14)8-10(9-15-12)13(3,4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-6-15(7-2)12-8-11(9-14-10-12)13(3,4)5;1-6-15(7-2)12-9-8-11(10-14-12)13(3,4)5;1-6-15(7-2)11-13-8-10(9-14-11)12(3,4)5;1-7-13-8(6-14-7)9-5-12-10(15-9)11(2,3)4;1-6-14-9(13)8-7(2)12-10(15-8)11(3,4)5;1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-5-9-6-7/h4-11H,1-3H3;8-9H,6-7H2,1-5H3;4-5,10H,6-9H2,1-3H3;2*8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;5-6H,1-4H3;6H2,1-5H3;4-6H,1-3H3;5H,1-4H3,(H,10,11,12);4-5H,1-3H3;7H,4-6H2,1-3H3
InChIKeyACCVRCQRMDUNQM-UHFFFAOYSA-N
MW2540.05 g/mol
LogP36.95
Rot. Bonds20

About 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate

3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 157068208) has the molecular formula C136H207BrClN21O6S6 and a molecular weight of 2540.05 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID157068208
Molecular FormulaC136H207BrClN21O6S6
Molecular Weight2540.05 g/mol
Exact Mass2536.37
IUPAC Name3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)C1CCSC1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)nc1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1ncc(-c2cnco2)s1.CCN(CC)c1ccc(C(C)(C)C)cn1.CCN(CC)c1cncc(C(C)(C)C)c1.CCN(CC)c1ncc(C(C)(C)C)cc1Br.CCN(CC)c1ncc(C(C)(C)C)cn1.CCOC(=O)c1sc(C(C)(C)C)nc1C.Cc1nc(-c2cnc(C(C)(C)C)s2)cs1
InChIInChI=1S/C15H17NO.C13H21BrN2.C13H20N2O.2C13H22N2.C12H21N3.C11H14N2S2.C11H17NO2S.C10H12N2OS.C9H14N2OS.C8H11ClN2.C8H16S/c1-15(2,3)12-9-10-14(16-11-12)17-13-7-5-4-6-8-13;1-6-16(7-2)12-11(14)8-10(9-15-12)13(3,4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-6-15(7-2)12-8-11(9-14-10-12)13(3,4)5;1-6-15(7-2)12-9-8-11(10-14-12)13(3,4)5;1-6-15(7-2)11-13-8-10(9-14-11)12(3,4)5;1-7-13-8(6-14-7)9-5-12-10(15-9)11(2,3)4;1-6-14-9(13)8-7(2)12-10(15-8)11(3,4)5;1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-5-9-6-7/h4-11H,1-3H3;8-9H,6-7H2,1-5H3;4-5,10H,6-9H2,1-3H3;2*8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;5-6H,1-4H3;6H2,1-5H3;4-6H,1-3H3;5H,1-4H3,(H,10,11,12);4-5H,1-3H3;7H,4-6H2,1-3H3
InChIKeyACCVRCQRMDUNQM-UHFFFAOYSA-N
XLogP36.95
TPSA296.55 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002540.05
LogP ≤ 536.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-Bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 158568569
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157112642
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778
bis(3-tert-butylfuran);2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157435254
2-tert-butyl-1,3-diazinane;2-tert-butylfuran;1-tert-butylimidazole;3-tert-butylmorpholine;4-tert-butylmorpholine;2-tert-butyl-1,3-oxazole;1-tert-butylpiperidine;4-tert-butylpiperidine;3-tert-butyl-2H-pyran;4-tert-butyl-4H-pyran;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-3H-pyrrole;3-tert-butyl-2H-pyrrole;1-tert-butylpyrrolidine;3-tert-butylpyrrolidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butyl-2H-thiopyran;4-tert-butyl-4H-thiopyran
CID 158126444
cumene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;bis(2-propan-2-yl-1H-pyrrole);5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;tris(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene)
CID 158260533
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158475659
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 158694824
3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
CID 158753702
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 158831769
2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;4-(2,4-dimethylfuran-3-yl)-N-methylpyridin-2-amine;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)pyridine-4-carboxamide;N,2-dimethyl-6-(methylamino)pyridine-4-carboxamide;N,N-dimethylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;2-ethyl-N,N-dimethyl-4-propan-2-yl-1,3-thiazole-5-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[2-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;[2-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;[2-methyl-6-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
CID 158892457
2-[(E)-2-(furan-2-yl)ethenyl]furan;1-methyl-2-[(E)-prop-1-enyl]imidazole;2-[(E)-2-(1,3-oxazol-2-yl)ethenyl]-1,3-oxazole;2-[(E)-2-pyrazin-2-ylethenyl]pyrazine;4-[(E)-2-pyridin-4-ylethenyl]pyridine;2-[(E)-2-pyrimidin-2-ylethenyl]pyrimidine;(E)-stilbene;2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,3-thiazole;2-[(E)-2-thiophen-2-ylethenyl]thiophene;2-[(E)-2-(1,3,5-triazin-2-yl)ethenyl]-1,3,5-triazine
CID 159160289

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate (CID 157068208) is 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate is CC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)C1CCSC1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)nc1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1ncc(-c2cnco2)s1.CCN(CC)c1ccc(C(C)(C)C)cn1.CCN(CC)c1cncc(C(C)(C)C)c1.CCN(CC)c1ncc(C(C)(C)C)cc1Br.CCN(CC)c1ncc(C(C)(C)C)cn1.CCOC(=O)c1sc(C(C)(C)C)nc1C.Cc1nc(-c2cnc(C(C)(C)C)s2)cs1.
What is the InChIKey of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ACCVRCQRMDUNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C13H21BrN2.C13H20N2O.2C13H22N2.C12H21N3.C11H14N2S2.C11H17NO2S.C10H12N2OS.C9H14N2OS.C8H11ClN2.C8H16S/c1-15(2,3)12-9-10-14(16-11-12)17-13-7-5-4-6-8-13;1-6-16(7-2)12-11(14)8-10(9-15-12)13(3,4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-6-15(7-2)12-8-11(9-14-10-12)13(3,4)5;1-6-15(7-2)12-9-8-11(10-14-12)13(3,4)5;1-6-15(7-2)11-13-8-10(9-14-11)12(3,4)5;1-7-13-8(6-14-7)9-5-12-10(15-9)11(2,3)4;1-6-14-9(13)8-7(2)12-10(15-8)11(3,4)5;1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6;1-8(2,3)7-4-5-9-6-7/h4-11H,1-3H3;8-9H,6-7H2,1-5H3;4-5,10H,6-9H2,1-3H3;2*8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;5-6H,1-4H3;6H2,1-5H3;4-6H,1-3H3;5H,1-4H3,(H,10,11,12);4-5H,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 2540.05 g/mol, XLogP of 36.95, 20 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 157068208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).