2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene

C64H96N6S5 — CID 157345943

IUPAC2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1
InChIInChI=1S/3C9H13N.2C8H12S.3C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h3*4-7H,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3
InChIKeyBGYWLEACCGJIEM-UHFFFAOYSA-N
MW1109.85 g/mol
LogP20.55
Rot. Bonds

About 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene

2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene (PubChem CID 157345943) has the molecular formula C64H96N6S5 and a molecular weight of 1109.85 g/mol. Its IUPAC name is 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
PubChem CID157345943
Molecular FormulaC64H96N6S5
Molecular Weight1109.85 g/mol
Exact Mass1108.63
IUPAC Name2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1
InChIInChI=1S/3C9H13N.2C8H12S.3C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h3*4-7H,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3
InChIKeyBGYWLEACCGJIEM-UHFFFAOYSA-N
XLogP20.55
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001109.85
LogP ≤ 520.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The IUPAC name of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene (CID 157345943) is 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene.
What is the SMILES notation for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The canonical SMILES for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene is CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cncs1.CC(C)(C)c1cscn1.CC(C)(C)c1nccs1.
What is the InChIKey of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
The InChIKey is BGYWLEACCGJIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.2C8H12S.3C7H11NS/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6/h3*4-7H,1-3H3;2*4-6H,1-3H3;3*4-5H,1-3H3.
What are the key properties of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene?
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene has a molecular weight of 1109.85 g/mol, XLogP of 20.55, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene is sourced from PubChem (CID 157345943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).