bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine

C99H127N11S7 — CID 157122274

IUPACbis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1
InChIInChI=1S/C12H15N.C12H14S.C11H18N2.C11H13NS.C11H17NS.2C11H13NS.2C10H12N2S/c1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-9H,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyAICLWQJWPIZQOL-UHFFFAOYSA-N
MW1695.65 g/mol
LogP30.03
Rot. Bonds

About bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine

bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine (PubChem CID 157122274) has the molecular formula C99H127N11S7 and a molecular weight of 1695.65 g/mol. Its IUPAC name is bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine.

Molecular Properties

Compound Namebis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine
PubChem CID157122274
Molecular FormulaC99H127N11S7
Molecular Weight1695.65 g/mol
Exact Mass1693.83
IUPAC Namebis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine
SMILESCC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1
InChIInChI=1S/C12H15N.C12H14S.C11H18N2.C11H13NS.C11H17NS.2C11H13NS.2C10H12N2S/c1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-9H,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3
InChIKeyAICLWQJWPIZQOL-UHFFFAOYSA-N
XLogP30.03
TPSA125.35 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001695.65
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
The IUPAC name of bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine (CID 157122274) is bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine.
What is the SMILES notation for bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
The canonical SMILES for bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine is CC(C)(C)c1cc2ccccc2s1.CC(C)(C)c1cc2cccnc2s1.CC(C)(C)c1cc2n(n1)CCCC2.CC(C)(C)c1cccc2cccn12.CC(C)(C)c1nc2c(s1)CCCC2.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2ccccc2s1.CC(C)(C)c1nc2cccnc2s1.CC(C)(C)c1nc2ccncc2s1.
What is the InChIKey of bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
The InChIKey is AICLWQJWPIZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C12H14S.C11H18N2.C11H13NS.C11H17NS.2C11H13NS.2C10H12N2S/c1-12(2,3)11-8-4-6-10-7-5-9-13(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-11(2,3)10-8-9-6-4-5-7-13(9)12-10;1-11(2,3)9-7-8-5-4-6-12-10(8)13-9;3*1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h4-9H,1-3H3;4-8H,1-3H3;8H,4-7H2,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3.
What are the key properties of bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine?
bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine has a molecular weight of 1695.65 g/mol, XLogP of 30.03, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-1,3-benzothiazole);2-tert-butyl-1-benzothiophene;5-tert-butylindolizine;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine is sourced from PubChem (CID 157122274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).