6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C67H85N11S — CID 159400814

IUPAC6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C12H16N2.C12H15N.2C11H14N2.C11H13NS.C10H13N3/c1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;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/h5-8H,1-4H3;4-6,8H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyLNHVPXDREPOCCF-UHFFFAOYSA-N
MW1076.56 g/mol
LogP16.90
Rot. Bonds

About 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 159400814) has the molecular formula C67H85N11S and a molecular weight of 1076.56 g/mol. Its IUPAC name is 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID159400814
Molecular FormulaC67H85N11S
Molecular Weight1076.56 g/mol
Exact Mass1075.67
IUPAC Name6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C12H16N2.C12H15N.2C11H14N2.C11H13NS.C10H13N3/c1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;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/h5-8H,1-4H3;4-6,8H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyLNHVPXDREPOCCF-UHFFFAOYSA-N
XLogP16.90
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.56
LogP ≤ 516.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 159400814) is 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1ccc2c(c1)C=NC2.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.Cn1cnc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LNHVPXDREPOCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H15N.2C11H14N2.C11H13NS.C10H13N3/c1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;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/h5-8H,1-4H3;4-6,8H,7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1076.56 g/mol, XLogP of 16.90, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 159400814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).