2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole

C23H35N5S — CID 157287344

IUPAC2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1
InChIInChI=1S/2C8H12N2.C7H11NS/c1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-8-4-5-9-6/h2*4-6H,1-3H3;4-5H,1-3H3
InChIKeyBAJUJSDZOKVTNI-UHFFFAOYSA-N
MW413.64 g/mol
LogP5.99
Rot. Bonds

About 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole

2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole (PubChem CID 157287344) has the molecular formula C23H35N5S and a molecular weight of 413.64 g/mol. Its IUPAC name is 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole
PubChem CID157287344
Molecular FormulaC23H35N5S
Molecular Weight413.64 g/mol
Exact Mass413.26
IUPAC Name2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1
InChIInChI=1S/2C8H12N2.C7H11NS/c1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-8-4-5-9-6/h2*4-6H,1-3H3;4-5H,1-3H3
InChIKeyBAJUJSDZOKVTNI-UHFFFAOYSA-N
XLogP5.99
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.64
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 158720265
2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine
CID 158087577
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bis(tert-butylbenzene);bis(5-tert-butyl-1H-indole);bis(6-tert-butyl-1H-indole);2-tert-butylpyrazine;3-tert-butylpyridazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butyl-1H-pyrrole
CID 157293680
2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;cumene;ethane;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 161423252
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CID 159384409
1-tert-butylimidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;2-tert-butylpyridine;2-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;ethane
CID 158307384
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CID 163537637
(1S)-1-pyridin-4-yl-1-(1,3-thiazol-2-yl)ethanol
CID 95850481

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole?
The IUPAC name of 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole (CID 157287344) is 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole is CC(C)(C)c1cccnn1.CC(C)(C)c1cnccn1.CC(C)(C)c1nccs1.
What is the InChIKey of 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole?
The InChIKey is BAJUJSDZOKVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12N2.C7H11NS/c1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-8-4-5-9-6/h2*4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole?
2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole has a molecular weight of 413.64 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 157287344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).