2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole

C223H351ClF8N44O7S5 — CID 163641608

IUPAC2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1cc(C(F)(F)F)[nH]n1.CC(C)(C)c1cc(C2CC2)[nH]n1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1n[nH]c(C2CC2)n1.CC(C)(C)c1n[nH]c(CO)n1.CC(C)(C)c1nc(Cl)cs1.CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(CO)c(F)c1.CC(C)c1cnc(CO)nc1.CC(C)c1nc(C(C)(C)C)n[nH]1.CC(C)c1nccs1.CCc1cc(C(C)(C)C)n[nH]1.CCc1nc(C(C)(C)C)n[nH]1.CN(C)Cc1nc(C(C)(C)C)n[nH]1.COc1ccc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)n[nH]1.Cc1ccc(C(C)(C)C)cn1.Cc1csc(C(C)C)n1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1nnc(C(C)C)s1.Cc1nsc(C(C)C)n1
InChIInChI=1S/C11H17NO.C11H15N.C10H12F3N.C10H13FO.C10H13F.C10H16N2.2C10H15NO.C10H15N.C9H18N4.C9H15N3.C9H17N3.C9H16N2.C9H13N.C8H11F3N2.C8H15N3.C8H12N2O.C8H14N2.C8H13NO.C7H10ClNS.C7H13N3O.C7H13N3.C7H11NS.2C6H10N2S.C6H9NS/c1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7(2)8-3-4-9(6-12)10(11)5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-4-5-9(7-12)11-6-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-10-7(11-12-8)6-13(4)5;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-6(2)7-10-8(12-11-7)9(3,4)5;1-5-7-6-8(11-10-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)5-4-6(13-12-5)8(9,10)11;1-5-6-9-7(11-10-6)8(2,3)4;1-6(2)7-3-9-8(5-11)10-4-7;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-9-5(8)4-10-6;1-7(2,3)6-8-5(4-11)9-10-6;1-5-8-6(10-9-5)7(2,3)4;1-5(2)7-8-6(3)4-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-5(2)6-7-3-4-8-6/h5-8,13H,1-4H3;5-9H,3-4H2,1-2H3;4-6H,1-3H3;3-5,7,12H,6H2,1-2H3;4-7H,1-3H3;6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;6H2,1-5H3,(H,10,11,12);6H,4-5H2,1-3H3,(H,10,11,12);6H,1-5H3,(H,10,11,12);6H,5H2,1-4H3,(H,10,11);4-7H,1-3H3;4H,1-3H3,(H,12,13);5H2,1-4H3,(H,9,10,11);3-4,6,11H,5H2,1-2H3;5H,1-4H3,(H,9,10);5H,1-4H3;4H,1-3H3;11H,4H2,1-3H3,(H,8,9,10);1-4H3,(H,8,9,10);4-5H,1-3H3;2*4H,1-3H3;3-5H,1-2H3
InChIKeyIESVFSFBXZZJQK-UHFFFAOYSA-N
MW4108.33 g/mol
LogP57.69
Rot. Bonds22

About 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole

2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole (PubChem CID 163641608) has the molecular formula C223H351ClF8N44O7S5 and a molecular weight of 4108.33 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole
PubChem CID163641608
Molecular FormulaC223H351ClF8N44O7S5
Molecular Weight4108.33 g/mol
Exact Mass4104.66
IUPAC Name2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole
SMILESCC(C)(C)c1cc(C(F)(F)F)[nH]n1.CC(C)(C)c1cc(C2CC2)[nH]n1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1n[nH]c(C2CC2)n1.CC(C)(C)c1n[nH]c(CO)n1.CC(C)(C)c1nc(Cl)cs1.CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(CO)c(F)c1.CC(C)c1cnc(CO)nc1.CC(C)c1nc(C(C)(C)C)n[nH]1.CC(C)c1nccs1.CCc1cc(C(C)(C)C)n[nH]1.CCc1nc(C(C)(C)C)n[nH]1.CN(C)Cc1nc(C(C)(C)C)n[nH]1.COc1ccc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)n[nH]1.Cc1ccc(C(C)(C)C)cn1.Cc1csc(C(C)C)n1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1nnc(C(C)C)s1.Cc1nsc(C(C)C)n1
InChIInChI=1S/C11H17NO.C11H15N.C10H12F3N.C10H13FO.C10H13F.C10H16N2.2C10H15NO.C10H15N.C9H18N4.C9H15N3.C9H17N3.C9H16N2.C9H13N.C8H11F3N2.C8H15N3.C8H12N2O.C8H14N2.C8H13NO.C7H10ClNS.C7H13N3O.C7H13N3.C7H11NS.2C6H10N2S.C6H9NS/c1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7(2)8-3-4-9(6-12)10(11)5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-4-5-9(7-12)11-6-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-10-7(11-12-8)6-13(4)5;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-6(2)7-10-8(12-11-7)9(3,4)5;1-5-7-6-8(11-10-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)5-4-6(13-12-5)8(9,10)11;1-5-6-9-7(11-10-6)8(2,3)4;1-6(2)7-3-9-8(5-11)10-4-7;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-9-5(8)4-10-6;1-7(2,3)6-8-5(4-11)9-10-6;1-5-8-6(10-9-5)7(2,3)4;1-5(2)7-8-6(3)4-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-5(2)6-7-3-4-8-6/h5-8,13H,1-4H3;5-9H,3-4H2,1-2H3;4-6H,1-3H3;3-5,7,12H,6H2,1-2H3;4-7H,1-3H3;6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;6H2,1-5H3,(H,10,11,12);6H,4-5H2,1-3H3,(H,10,11,12);6H,1-5H3,(H,10,11,12);6H,5H2,1-4H3,(H,10,11);4-7H,1-3H3;4H,1-3H3,(H,12,13);5H2,1-4H3,(H,9,10,11);3-4,6,11H,5H2,1-2H3;5H,1-4H3,(H,9,10);5H,1-4H3;4H,1-3H3;11H,4H2,1-3H3,(H,8,9,10);1-4H3,(H,8,9,10);4-5H,1-3H3;2*4H,1-3H3;3-5H,1-2H3
InChIKeyIESVFSFBXZZJQK-UHFFFAOYSA-N
XLogP57.69
TPSA710.03 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds22
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004108.33
LogP ≤ 557.69
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Analyze 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole with MolForge

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What is the IUPAC name of 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole (CID 163641608) is 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole is CC(C)(C)c1cc(C(F)(F)F)[nH]n1.CC(C)(C)c1cc(C2CC2)[nH]n1.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(CO)nc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1n[nH]c(C2CC2)n1.CC(C)(C)c1n[nH]c(CO)n1.CC(C)(C)c1nc(Cl)cs1.CC(C)c1ccc(C(C)(C)O)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(CO)c(F)c1.CC(C)c1cnc(CO)nc1.CC(C)c1nc(C(C)(C)C)n[nH]1.CC(C)c1nccs1.CCc1cc(C(C)(C)C)n[nH]1.CCc1nc(C(C)(C)C)n[nH]1.CN(C)Cc1nc(C(C)(C)C)n[nH]1.COc1ccc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)n[nH]1.Cc1ccc(C(C)(C)C)cn1.Cc1csc(C(C)C)n1.Cc1nc(C(C)(C)C)n[nH]1.Cc1ncc(C(C)(C)C)o1.Cc1nnc(C(C)C)s1.Cc1nsc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole?
The InChIKey is IESVFSFBXZZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C11H15N.C10H12F3N.C10H13FO.C10H13F.C10H16N2.2C10H15NO.C10H15N.C9H18N4.C9H15N3.C9H17N3.C9H16N2.C9H13N.C8H11F3N2.C8H15N3.C8H12N2O.C8H14N2.C8H13NO.C7H10ClNS.C7H13N3O.C7H13N3.C7H11NS.2C6H10N2S.C6H9NS/c1-8(2)9-5-6-10(12-7-9)11(3,4)13;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7(2)8-3-4-9(6-12)10(11)5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-4-5-9(7-12)11-6-8;1-8-5-6-9(7-11-8)10(2,3)4;1-9(2,3)8-10-7(11-12-8)6-13(4)5;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-6(2)7-10-8(12-11-7)9(3,4)5;1-5-7-6-8(11-10-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-7(2,3)5-4-6(13-12-5)8(9,10)11;1-5-6-9-7(11-10-6)8(2,3)4;1-6(2)7-3-9-8(5-11)10-4-7;1-6-5-7(10-9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-9-5(8)4-10-6;1-7(2,3)6-8-5(4-11)9-10-6;1-5-8-6(10-9-5)7(2,3)4;1-5(2)7-8-6(3)4-9-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-5(2)6-7-3-4-8-6/h5-8,13H,1-4H3;5-9H,3-4H2,1-2H3;4-6H,1-3H3;3-5,7,12H,6H2,1-2H3;4-7H,1-3H3;6-7H,4-5H2,1-3H3,(H,11,12);5-7H,1-4H3;4-6,12H,7H2,1-3H3;5-7H,1-4H3;6H2,1-5H3,(H,10,11,12);6H,4-5H2,1-3H3,(H,10,11,12);6H,1-5H3,(H,10,11,12);6H,5H2,1-4H3,(H,10,11);4-7H,1-3H3;4H,1-3H3,(H,12,13);5H2,1-4H3,(H,9,10,11);3-4,6,11H,5H2,1-2H3;5H,1-4H3,(H,9,10);5H,1-4H3;4H,1-3H3;11H,4H2,1-3H3,(H,8,9,10);1-4H3,(H,8,9,10);4-5H,1-3H3;2*4H,1-3H3;3-5H,1-2H3.
What are the key properties of 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole?
2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole has a molecular weight of 4108.33 g/mol, XLogP of 57.69, 22 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1,3-thiazole;3-tert-butyl-5-cyclopropyl-1H-pyrazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;3-tert-butyl-5-ethyl-1H-pyrazole;3-tert-butyl-5-ethyl-1H-1,2,4-triazole;1-tert-butyl-3-fluorobenzene;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;5-tert-butyl-2-methylpyridine;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-tert-butyl-5-propan-2-yl-1H-1,2,4-triazole;3-tert-butylpyridine;(5-tert-butyl-2-pyridinyl)methanol;1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N,N-dimethylmethanamine;(3-tert-butyl-1H-1,2,4-triazol-5-yl)methanol;3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole;5-tert-butyl-2-(trifluoromethyl)pyridine;2-cyclopropyl-5-propan-2-ylpyridine;(2-fluoro-4-propan-2-ylphenyl)methanol;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol;(5-propan-2-ylpyrimidin-2-yl)methanol;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 163641608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).