5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine

C141H175N21S2 — CID 158445449

IUPAC5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2sncc2c1.Cc1ccc2ncc(C)n2c1.Cc1cnc2ccc(C(C)(C)C)cc2n1.Cc1ncnc2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C13H16N2.2C13H15N.4C12H16N2.2C11H13NS.C10H13N3.C9H10N2/c1-9-11-7-10(13(2,3)4)5-6-12(11)15-8-14-9;1-9-8-14-11-6-5-10(13(2,3)4)7-12(11)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-7-3-4-9-10-5-8(2)11(9)6-7/h2*5-8H,1-4H3;2*4-9H,1-3H3;4*5-8H,1-4H3;3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyHDIJIIJRXDFTIV-UHFFFAOYSA-N
MW2228.23 g/mol
LogP36.18
Rot. Bonds

About 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine

5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine (PubChem CID 158445449) has the molecular formula C141H175N21S2 and a molecular weight of 2228.23 g/mol. Its IUPAC name is 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine
PubChem CID158445449
Molecular FormulaC141H175N21S2
Molecular Weight2228.23 g/mol
Exact Mass2226.38
IUPAC Name5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2sncc2c1.Cc1ccc2ncc(C)n2c1.Cc1cnc2ccc(C(C)(C)C)cc2n1.Cc1ncnc2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21
InChIInChI=1S/2C13H16N2.2C13H15N.4C12H16N2.2C11H13NS.C10H13N3.C9H10N2/c1-9-11-7-10(13(2,3)4)5-6-12(11)15-8-14-9;1-9-8-14-11-6-5-10(13(2,3)4)7-12(11)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-7-3-4-9-10-5-8(2)11(9)6-7/h2*5-8H,1-4H3;2*4-9H,1-3H3;4*5-8H,1-4H3;3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyHDIJIIJRXDFTIV-UHFFFAOYSA-N
XLogP36.18
TPSA221.89 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002228.23
LogP ≤ 536.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butylquinazoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158060695
bis(6-tert-butyl-3-methylimidazo[1,2-a]pyridine);6-tert-butyl-3-methylimidazo[1,2-b]pyridazine;2-tert-butyl-8-methyl-1,5-naphthyridine;5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-4-methylquinazoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;methane
CID 158937450
6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
5-tert-butyl-1,3-dimethylindazole;6-tert-butyl-1,3-dimethylindazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylindazole;6-tert-butyl-2-methylindazole;5-tert-butyl-3-methyl-1H-isoindole
CID 159601655
tert-butylbenzene;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-2,3-dihydro-1H-indene;7-tert-butylisoquinoline;5-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylquinoline;6-tert-butylquinoline;ethane
CID 159087796
5-tert-butyl-1-benzofuran;5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,2-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,2-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butyl-1H-isoindole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-2-methyl-1,3-benzoxazole;6-tert-butyl-2-methyl-1,3-benzoxazole
CID 159083031
6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 158663197
5-(1-methylindazol-5-yl)-1,3-benzothiazole
CID 59283010
6-tert-butyl-1-benzofuran;6-tert-butyl-1,3-benzothiazole;bis(6-tert-butyl-3H-indole);6-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-2-methyl-1-benzothiophene;6-tert-butyl-2-methyl-3H-indole;2-tert-butylnaphthalene;6-tert-butylquinoline;2,6-dimethyl-3H-indole;1-ethyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;6-propan-2-yl-3H-indole
CID 158273781
2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane
CID 158420994

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine?
The IUPAC name of 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine (CID 158445449) is 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine?
The canonical SMILES for 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine is CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccc2sncc2c1.Cc1ccc2ncc(C)n2c1.Cc1cnc2ccc(C(C)(C)C)cc2n1.Cc1ncnc2ccc(C(C)(C)C)cc12.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.Cn1ncc2cc(C(C)(C)C)ccc21.Cn1ncc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine?
The InChIKey is HDIJIIJRXDFTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16N2.2C13H15N.4C12H16N2.2C11H13NS.C10H13N3.C9H10N2/c1-9-11-7-10(13(2,3)4)5-6-12(11)15-8-14-9;1-9-8-14-11-6-5-10(13(2,3)4)7-12(11)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)10-6-5-9-8-13-14(4)11(9)7-10;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-7-3-4-9-10-5-8(2)11(9)6-7/h2*5-8H,1-4H3;2*4-9H,1-3H3;4*5-8H,1-4H3;3*4-7H,1-3H3;3-6H,1-2H3.
What are the key properties of 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine?
5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine has a molecular weight of 2228.23 g/mol, XLogP of 36.18, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-4-methylquinazoline;7-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 158445449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).