2-phenyl-3-tridecoxythieno[3,4-b]pyrazine

C25H34N2OS — CID 21200077

IUPAC2-phenyl-3-tridecoxythieno[3,4-b]pyrazine
SMILESCCCCCCCCCCCCCOc1nc2cscc2nc1-c1ccccc1
InChIInChI=1S/C25H34N2OS/c1-2-3-4-5-6-7-8-9-10-11-15-18-28-25-24(21-16-13-12-14-17-21)26-22-19-29-20-23(22)27-25/h12-14,16-17,19-20H,2-11,15,18H2,1H3
InChIKeyNUHLXQBAXVYFCW-UHFFFAOYSA-N
MW410.63 g/mol
LogP8.05
Rot. Bonds14

About 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine

2-phenyl-3-tridecoxythieno[3,4-b]pyrazine (PubChem CID 21200077) has the molecular formula C25H34N2OS and a molecular weight of 410.63 g/mol. Its IUPAC name is 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine.

Molecular Properties

Compound Name2-phenyl-3-tridecoxythieno[3,4-b]pyrazine
PubChem CID21200077
Molecular FormulaC25H34N2OS
Molecular Weight410.63 g/mol
Exact Mass410.24
IUPAC Name2-phenyl-3-tridecoxythieno[3,4-b]pyrazine
SMILESCCCCCCCCCCCCCOc1nc2cscc2nc1-c1ccccc1
InChIInChI=1S/C25H34N2OS/c1-2-3-4-5-6-7-8-9-10-11-15-18-28-25-24(21-16-13-12-14-17-21)26-22-19-29-20-23(22)27-25/h12-14,16-17,19-20H,2-11,15,18H2,1H3
InChIKeyNUHLXQBAXVYFCW-UHFFFAOYSA-N
XLogP8.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.63
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
2,3-didodecoxyquinoxaline
CID 139934452
3-dodecoxythieno[3,4-b]pyrazine
CID 139758024
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
2,3-bis(2-undecoxyethyl)thieno[3,4-b]pyrazine
CID 67519617
2-phenyl-3-(quinolin-2-ylmethoxy)quinoxaline
CID 110173775
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,1'-biphenyl;hexadecane
CID 173308514
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
pentoxybenzene;undecane
CID 174778179
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
2-hexadecoxyquinoxaline
CID 175436911

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine?
The IUPAC name of 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine (CID 21200077) is 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine.
What is the SMILES notation for 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine?
The canonical SMILES for 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine is CCCCCCCCCCCCCOc1nc2cscc2nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine?
The InChIKey is NUHLXQBAXVYFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2OS/c1-2-3-4-5-6-7-8-9-10-11-15-18-28-25-24(21-16-13-12-14-17-21)26-22-19-29-20-23(22)27-25/h12-14,16-17,19-20H,2-11,15,18H2,1H3.
What are the key properties of 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine?
2-phenyl-3-tridecoxythieno[3,4-b]pyrazine has a molecular weight of 410.63 g/mol, XLogP of 8.05, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-tridecoxythieno[3,4-b]pyrazine is sourced from PubChem (CID 21200077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).