7-heptan-3-ylthieno[2,3-b]pyrazine

C13H18N2S — CID 171834289

IUPAC7-heptan-3-ylthieno[2,3-b]pyrazine
SMILESCCCCC(CC)c1csc2nccnc12
InChIInChI=1S/C13H18N2S/c1-3-5-6-10(4-2)11-9-16-13-12(11)14-7-8-15-13/h7-10H,3-6H2,1-2H3
InChIKeyIETOCGBFAHSJKM-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.38
Rot. Bonds5

About 7-heptan-3-ylthieno[2,3-b]pyrazine

7-heptan-3-ylthieno[2,3-b]pyrazine (PubChem CID 171834289) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 7-heptan-3-ylthieno[2,3-b]pyrazine.

Molecular Properties

Compound Name7-heptan-3-ylthieno[2,3-b]pyrazine
PubChem CID171834289
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name7-heptan-3-ylthieno[2,3-b]pyrazine
SMILESCCCCC(CC)c1csc2nccnc12
InChIInChI=1S/C13H18N2S/c1-3-5-6-10(4-2)11-9-16-13-12(11)14-7-8-15-13/h7-10H,3-6H2,1-2H3
InChIKeyIETOCGBFAHSJKM-UHFFFAOYSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-heptan-3-yl-2-pyridin-2-ylpyridine
CID 154256710
ethane;5-heptan-3-yl-1,3-thiazol-2-amine
CID 156888648
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
4-heptan-3-ylpyrido[3,2-d]pyrimidine
CID 155035105
3-heptan-3-ylpyrazine-2-carboxylic acid
CID 175963693
3-[(3S)-heptan-3-yl]pyridine
CID 134862290
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-methyl-3-octan-4-ylpyrazine
CID 144869525
4-heptan-3-yl-2H-triazole
CID 170381797
5-heptan-3-yl-2,3-dihydrothiophene
CID 100984300
1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
CID 597966

Frequently Asked Questions

What is the IUPAC name of 7-heptan-3-ylthieno[2,3-b]pyrazine?
The IUPAC name of 7-heptan-3-ylthieno[2,3-b]pyrazine (CID 171834289) is 7-heptan-3-ylthieno[2,3-b]pyrazine.
What is the SMILES notation for 7-heptan-3-ylthieno[2,3-b]pyrazine?
The canonical SMILES for 7-heptan-3-ylthieno[2,3-b]pyrazine is CCCCC(CC)c1csc2nccnc12.
What is the InChIKey of 7-heptan-3-ylthieno[2,3-b]pyrazine?
The InChIKey is IETOCGBFAHSJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-5-6-10(4-2)11-9-16-13-12(11)14-7-8-15-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 7-heptan-3-ylthieno[2,3-b]pyrazine?
7-heptan-3-ylthieno[2,3-b]pyrazine has a molecular weight of 234.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptan-3-ylthieno[2,3-b]pyrazine is sourced from PubChem (CID 171834289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).