3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine

C15H16N2S — CID 177086881

IUPAC3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine
SMILESCc1nc2c(nc1C(C)(C)C)sc1ccccc12
InChIInChI=1S/C15H16N2S/c1-9-13(15(2,3)4)17-14-12(16-9)10-7-5-6-8-11(10)18-14/h5-8H,1-4H3
InChIKeyVFKANQOPIBCVFJ-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.45
Rot. Bonds

About 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine

3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 177086881) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine
PubChem CID177086881
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine
SMILESCc1nc2c(nc1C(C)(C)C)sc1ccccc12
InChIInChI=1S/C15H16N2S/c1-9-13(15(2,3)4)17-14-12(16-9)10-7-5-6-8-11(10)18-14/h5-8H,1-4H3
InChIKeyVFKANQOPIBCVFJ-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-ditert-butyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164819464
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
CID 172684607
2-tert-butyl-3-methylbenzo[f]quinoxaline
CID 170036564
4-tert-butyl-2-(4-tert-butylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
CID 167166753
2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118245250
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
2,5-ditert-butyl-3,6-dimethylpyrazine
CID 143714636
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
7-chloro-[1]benzothiolo[3,2-b]quinoxaline
CID 156801307
2,5-ditert-butyl-3-methylquinoxaline
CID 134411080
2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 144594588
bis(dibenzothiophene);ethane
CID 143921746

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine (CID 177086881) is 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine is Cc1nc2c(nc1C(C)(C)C)sc1ccccc12.
What is the InChIKey of 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is VFKANQOPIBCVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-9-13(15(2,3)4)17-14-12(16-9)10-7-5-6-8-11(10)18-14/h5-8H,1-4H3.
What are the key properties of 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine?
3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 256.37 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 177086881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).