2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine

C63H104N10OS2 — CID 161370701

IUPAC2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine
SMILESC.C.C.C.C.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cnnc1.CC(C)c1ccccn1
InChIInChI=1S/C12H15N.C11H13NS.C8H11N.C7H12N2.C7H11NO.C7H11NS.C6H11N3.5CH4/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2)8-5-3-4-6-9-8;3*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;;;;;/h4-8,13H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;5*1H4
InChIKeyVQKNQGIQNFPUMF-UHFFFAOYSA-N
MW1081.73 g/mol
LogP19.60
Rot. Bonds1

About 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine

2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine (PubChem CID 161370701) has the molecular formula C63H104N10OS2 and a molecular weight of 1081.73 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine
PubChem CID161370701
Molecular FormulaC63H104N10OS2
Molecular Weight1081.73 g/mol
Exact Mass1080.78
IUPAC Name2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine
SMILESC.C.C.C.C.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cnnc1.CC(C)c1ccccn1
InChIInChI=1S/C12H15N.C11H13NS.C8H11N.C7H12N2.C7H11NO.C7H11NS.C6H11N3.5CH4/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2)8-5-3-4-6-9-8;3*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;;;;;/h4-8,13H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;5*1H4
InChIKeyVQKNQGIQNFPUMF-UHFFFAOYSA-N
XLogP19.60
TPSA139.88 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.73
LogP ≤ 519.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole
CID 161073560
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole
CID 167547125
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine
CID 158953604
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;bis(5-tert-butyl-2H-benzimidazole);6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[3,2-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-indole;5-tert-butylpyrazolo[1,5-a]pyridine
CID 159741600
2-tert-butyl-4-phenyl-5-propan-2-yl-1,3-thiazole;ethane
CID 170587640
1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane
CID 158307384
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;6-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloroimidazole;5-tert-butyl-2-chloro-1H-imidazole;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole
CID 158111305
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;2-tert-butylpyrazine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;decakis(2,2-dimethylpropane);1H-imidazo[4,5-b]pyridine;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
CID 163534084
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43767328
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chloro-1,3-benzothiazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-5-methyl-1,3-benzothiazole;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;2-tert-butyl-5-phenyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine
CID 158209987
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butylpyridazine;1-(5-tert-butyl-2-pyridinyl)ethanone
CID 158890675
tert-butylbenzene;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;hexakis(2,2-dimethylpropane);1H-imidazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;2H-pyrrole;[1,3]thiazolo[5,4-b]pyridine
CID 163537637

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine (CID 161370701) is 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine is C.C.C.C.C.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1nccs1.CC(C)(C)n1cnnc1.CC(C)c1ccccn1.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine?
The InChIKey is VQKNQGIQNFPUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13NS.C8H11N.C7H12N2.C7H11NO.C7H11NS.C6H11N3.5CH4/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-7(2)8-5-3-4-6-9-8;3*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;;;;;/h4-8,13H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;5*1H4.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine?
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine has a molecular weight of 1081.73 g/mol, XLogP of 19.60, 1 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1H-imidazole;2-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,2,4-triazole;methane;2-propan-2-ylpyridine is sourced from PubChem (CID 161370701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).