2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine

C22H16N2S4 — CID 22960139

IUPAC2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
SMILESCc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C)s5)s4)cn3)s2)s1
InChIInChI=1S/C22H16N2S4/c1-13-3-5-19(25-13)21-9-7-17(27-21)15-11-24-16(12-23-15)18-8-10-22(28-18)20-6-4-14(2)26-20/h3-12H,1-2H3
InChIKeyGZLICFJVBWAJPN-UHFFFAOYSA-N
MW436.65 g/mol
LogP8.01
Rot. Bonds4

About 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine

2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine (PubChem CID 22960139) has the molecular formula C22H16N2S4 and a molecular weight of 436.65 g/mol. Its IUPAC name is 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine.

Molecular Properties

Compound Name2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
PubChem CID22960139
Molecular FormulaC22H16N2S4
Molecular Weight436.65 g/mol
Exact Mass436.02
IUPAC Name2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
SMILESCc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C)s5)s4)cn3)s2)s1
InChIInChI=1S/C22H16N2S4/c1-13-3-5-19(25-13)21-9-7-17(27-21)15-11-24-16(12-23-15)18-8-10-22(28-18)20-6-4-14(2)26-20/h3-12H,1-2H3
InChIKeyGZLICFJVBWAJPN-UHFFFAOYSA-N
XLogP8.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.65
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762
2-methyl-5-[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]-1,3-thiazole
CID 134530178
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 23386720
2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
CID 102203513
[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methanamine
CID 130541584
[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 54194493
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
2-methyl-5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 166512368

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine?
The IUPAC name of 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine (CID 22960139) is 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine.
What is the SMILES notation for 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine?
The canonical SMILES for 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine is Cc1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C)s5)s4)cn3)s2)s1.
What is the InChIKey of 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine?
The InChIKey is GZLICFJVBWAJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2S4/c1-13-3-5-19(25-13)21-9-7-17(27-21)15-11-24-16(12-23-15)18-8-10-22(28-18)20-6-4-14(2)26-20/h3-12H,1-2H3.
What are the key properties of 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine?
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine has a molecular weight of 436.65 g/mol, XLogP of 8.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine is sourced from PubChem (CID 22960139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).