2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol

C168H238ClF2N21O10S5 — CID 157100484

IUPAC2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol
SMILESCC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)c1ccc(F)c(C(=O)O)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc(CO)nc1.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccc1Cl.Cc1ccc(C(=O)O)cc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H14O2.C10H13Cl.C10H11FO2.C10H13NO.C10H15N.C10H11N.C10H12O2.C9H11F.C9H13NO.C9H12.C8H12N2O.C8H13NS.C8H11N.C7H12N2S.C7H12N2.3C7H11NS.C6H10N2O.C5H10N4/c1-7(2)10-6-9(11(12)13)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)7-3-4-9(11)8(5-7)10(12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-10-9(6-8)11-3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-9-8(5-11)10-4-7;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4/h4-7H,1-3H3,(H,12,13);4-7H,1-3H3;3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H2,11,12);5-7H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-4,6,11H,5H2,1-2H3;5H,1-4H3;3-7H,1-2H3;1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1-3H3,(H,6,7,8,9)
InChIKeyAFSARYXRPILIIY-UHFFFAOYSA-N
MW2945.67 g/mol
LogP46.14
Rot. Bonds18

About 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol

2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol (PubChem CID 157100484) has the molecular formula C168H238ClF2N21O10S5 and a molecular weight of 2945.67 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol
PubChem CID157100484
Molecular FormulaC168H238ClF2N21O10S5
Molecular Weight2945.67 g/mol
Exact Mass2942.70
IUPAC Name2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol
SMILESCC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)c1ccc(F)c(C(=O)O)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc(CO)nc1.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccc1Cl.Cc1ccc(C(=O)O)cc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C11H14O2.C10H13Cl.C10H11FO2.C10H13NO.C10H15N.C10H11N.C10H12O2.C9H11F.C9H13NO.C9H12.C8H12N2O.C8H13NS.C8H11N.C7H12N2S.C7H12N2.3C7H11NS.C6H10N2O.C5H10N4/c1-7(2)10-6-9(11(12)13)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)7-3-4-9(11)8(5-7)10(12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-10-9(6-8)11-3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-9-8(5-11)10-4-7;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4/h4-7H,1-3H3,(H,12,13);4-7H,1-3H3;3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H2,11,12);5-7H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-4,6,11H,5H2,1-2H3;5H,1-4H3;3-7H,1-2H3;1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1-3H3,(H,6,7,8,9)
InChIKeyAFSARYXRPILIIY-UHFFFAOYSA-N
XLogP46.14
TPSA461.23 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002945.67
LogP ≤ 546.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol
CID 159021899
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylbenzamide;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol
CID 159194282
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylbenzoic acid;cumene;2,6-dimethyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylbenzamide;1-fluoro-4-propan-2-ylbenzene;2-fluoro-3-propan-2-ylbenzoic acid;2-fluoro-5-propan-2-ylbenzoic acid;3-fluoro-5-propan-2-ylbenzoic acid;4-fluoro-3-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;methyl 2-fluoro-5-propan-2-ylbenzoate;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol
CID 160285601
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylbenzamide;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;3-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol
CID 160971255
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1,3-thiazole);1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxylic acid;(5-propan-2-ylpyrimidin-2-yl)methanol
CID 161405208
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol
CID 161532383
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;3-tert-butylpyridine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylbenzamide;1-fluoro-4-propan-2-ylbenzene;2-fluoro-3-propan-2-ylbenzoic acid;2-fluoro-5-propan-2-ylbenzoic acid;3-fluoro-5-propan-2-ylbenzoic acid;4-fluoro-3-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyrimidine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;4-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-ylpyridine-3-carboxylic acid
CID 164985616

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol?
The IUPAC name of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol (CID 157100484) is 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol.
What is the SMILES notation for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol?
The canonical SMILES for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol is CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)n1cccn1.CC(C)c1ccc(F)c(C(=O)O)c1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(C(N)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cnc(CO)nc1.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccc1Cl.Cc1ccc(C(=O)O)cc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol?
The InChIKey is AFSARYXRPILIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C10H13Cl.C10H11FO2.C10H13NO.C10H15N.C10H11N.C10H12O2.C9H11F.C9H13NO.C9H12.C8H12N2O.C8H13NS.C8H11N.C7H12N2S.C7H12N2.3C7H11NS.C6H10N2O.C5H10N4/c1-7(2)10-6-9(11(12)13)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-6(2)7-3-4-9(11)8(5-7)10(12)13;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)10-6-5-8(3)11-9(10)4;1-8(2)10-5-3-4-9(6-10)7-11;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-5-10-9(6-8)11-3;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-9-8(5-11)10-4-7;1-6-9-5-7(10-6)8(2,3)4;1-7(2)8-4-3-5-9-6-8;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-8-7-4-9-5;1-5(2,3)4-6-8-9-7-4/h4-7H,1-3H3,(H,12,13);4-7H,1-3H3;3-6H,1-2H3,(H,12,13);3-7H,1-2H3,(H2,11,12);5-7H,1-4H3;3-6,8H,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-4,6,11H,5H2,1-2H3;5H,1-4H3;3-7H,1-2H3;1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;4H,1-3H3;1-3H3,(H,6,7,8,9).
What are the key properties of 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol?
2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol has a molecular weight of 2945.67 g/mol, XLogP of 46.14, 18 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-1,3,4-oxadiazole;1-tert-butylpyrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;1-chloro-2-methyl-4-propan-2-ylbenzene;cumene;2,6-dimethyl-3-propan-2-ylpyridine;1-fluoro-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzoic acid;2-methoxy-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylbenzoic acid;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;3-propan-2-ylbenzonitrile;3-propan-2-ylpyridine;(5-propan-2-ylpyrimidin-2-yl)methanol is sourced from PubChem (CID 157100484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).