2-tert-butylthieno[3,2-b]quinoxaline

C14H14N2S — CID 10824098

IUPAC2-tert-butylthieno[3,2-b]quinoxaline
SMILESCC(C)(C)c1cc2nc3ccccc3nc2s1
InChIInChI=1S/C14H14N2S/c1-14(2,3)12-8-11-13(17-12)16-10-7-5-4-6-9(10)15-11/h4-8H,1-3H3
InChIKeyAHCBJGYELJNPOC-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.14
Rot. Bonds

About 2-tert-butylthieno[3,2-b]quinoxaline

2-tert-butylthieno[3,2-b]quinoxaline (PubChem CID 10824098) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-tert-butylthieno[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-tert-butylthieno[3,2-b]quinoxaline
PubChem CID10824098
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-tert-butylthieno[3,2-b]quinoxaline
SMILESCC(C)(C)c1cc2nc3ccccc3nc2s1
InChIInChI=1S/C14H14N2S/c1-14(2,3)12-8-11-13(17-12)16-10-7-5-4-6-9(10)15-11/h4-8H,1-3H3
InChIKeyAHCBJGYELJNPOC-UHFFFAOYSA-N
XLogP4.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thioquinox
CID 7159
2-Benzothiazol-2-yl-quinoline
CID 699802
2-Methyl-3-phenylsulfanylquinoxaline
CID 899293
2-Phenylthieno[2,3-b]quinoxaline
CID 11777489
2-Propylthieno[3,2-b]quinoxaline
CID 91667539
2-(3,5-Difluorophenyl)thieno[3,2-b]quinoxaline
CID 118712789
[1]Benzothieno[2,3-b]quinoxaline
CID 279101
4-Methyl-2-[3-(trifluoromethyl)quinoxalin-2-yl]sulfanyl-1,3-thiazole
CID 172437020
Thieno[3,4-b]quinoxaline
CID 11137842
4-(3-Methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole
CID 5095309
2-(2-(Quinoxalin-2-yl)ethyl)benzo[d]thiazole
CID 70097617
Thieno[2,3-b]quinoxaline
CID 13464836

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylthieno[3,2-b]quinoxaline?
The IUPAC name of 2-tert-butylthieno[3,2-b]quinoxaline (CID 10824098) is 2-tert-butylthieno[3,2-b]quinoxaline.
What is the SMILES notation for 2-tert-butylthieno[3,2-b]quinoxaline?
The canonical SMILES for 2-tert-butylthieno[3,2-b]quinoxaline is CC(C)(C)c1cc2nc3ccccc3nc2s1.
What is the InChIKey of 2-tert-butylthieno[3,2-b]quinoxaline?
The InChIKey is AHCBJGYELJNPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-14(2,3)12-8-11-13(17-12)16-10-7-5-4-6-9(10)15-11/h4-8H,1-3H3.
What are the key properties of 2-tert-butylthieno[3,2-b]quinoxaline?
2-tert-butylthieno[3,2-b]quinoxaline has a molecular weight of 242.35 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylthieno[3,2-b]quinoxaline is sourced from PubChem (CID 10824098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).