5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine

C151H184N12O5S — CID 159779895

IUPAC5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncc2c(n1)CC=N2.CC(C)(C)n1cnc2cccnc21
InChIInChI=1S/5C13H16.5C11H13NO.C11H13NS.2C10H13N3/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)9-12-6-8-7(13-9)4-5-11-8;1-10(2,3)13-7-12-8-5-4-6-11-9(8)13/h4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-8H,9H2,1-3H3;6*4-7H,1-3H3;5-6H,4H2,1-3H3;4-7H,1-3H3
InChIKeyNHFJGOFXHVAKPS-UHFFFAOYSA-N
MW2279.28 g/mol
LogP41.32
Rot. Bonds

About 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine

5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 159779895) has the molecular formula C151H184N12O5S and a molecular weight of 2279.28 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine
PubChem CID159779895
Molecular FormulaC151H184N12O5S
Molecular Weight2279.28 g/mol
Exact Mass2277.42
IUPAC Name5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncc2c(n1)CC=N2.CC(C)(C)n1cnc2cccnc21
InChIInChI=1S/5C13H16.5C11H13NO.C11H13NS.2C10H13N3/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)9-12-6-8-7(13-9)4-5-11-8;1-10(2,3)13-7-12-8-5-4-6-11-9(8)13/h4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-8H,9H2,1-3H3;6*4-7H,1-3H3;5-6H,4H2,1-3H3;4-7H,1-3H3
InChIKeyNHFJGOFXHVAKPS-UHFFFAOYSA-N
XLogP41.32
TPSA211.89 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002279.28
LogP ≤ 541.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine (CID 159779895) is 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine is CC(C)(C)C1=Cc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2c(c1)CC=C2.CC(C)(C)c1ccc2ncoc2c1.CC(C)(C)c1ccc2ocnc2c1.CC(C)(C)c1ccc2scnc2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2c1CC=C2.CC(C)(C)c1cccc2ncoc12.CC(C)(C)c1cccc2ocnc12.CC(C)(C)c1nc2ccccc2o1.CC(C)(C)c1ncc2c(n1)CC=N2.CC(C)(C)n1cnc2cccnc21.
What is the InChIKey of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is NHFJGOFXHVAKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/5C13H16.5C11H13NO.C11H13NS.2C10H13N3/c2*1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;2*1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)8-5-4-6-9-10(8)12-7-13-9;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-11(2,3)8-4-5-10-9(6-8)12-7-13-10;1-10(2,3)9-12-6-8-7(13-9)4-5-11-8;1-10(2,3)13-7-12-8-5-4-6-11-9(8)13/h4-5,7-9H,6H2,1-3H3;4-7,9H,8H2,1-3H3;4,6-9H,5H2,1-3H3;4-5,7-9H,6H2,1-3H3;4-8H,9H2,1-3H3;6*4-7H,1-3H3;5-6H,4H2,1-3H3;4-7H,1-3H3.
What are the key properties of 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine?
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 2279.28 g/mol, XLogP of 41.32, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;4-tert-butyl-1,3-benzoxazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;7-tert-butyl-1,3-benzoxazole;3-tert-butylimidazo[4,5-b]pyridine;2-tert-butyl-1H-indene;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 159779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).