(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine

C16H14N2O2S2 — CID 177420875

IUPAC(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine
SMILESCOc1n/c(=C/c2cccs2)c(OC)n/c1=C/c1cccs1
InChIInChI=1S/C16H14N2O2S2/c1-19-15-13(9-11-5-3-7-21-11)18-16(20-2)14(17-15)10-12-6-4-8-22-12/h3-10H,1-2H3/b13-9+,14-10+
InChIKeyNDLIVYWGLZSLQX-UTLPMFLDSA-N
MW330.43 g/mol
LogP2.27
Rot. Bonds4

About (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine

(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine (PubChem CID 177420875) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine.

Molecular Properties

Compound Name(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine
PubChem CID177420875
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine
SMILESCOc1n/c(=C/c2cccs2)c(OC)n/c1=C/c1cccs1
InChIInChI=1S/C16H14N2O2S2/c1-19-15-13(9-11-5-3-7-21-11)18-16(20-2)14(17-15)10-12-6-4-8-22-12/h3-10H,1-2H3/b13-9+,14-10+
InChIKeyNDLIVYWGLZSLQX-UTLPMFLDSA-N
XLogP2.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[10,21-bis(thiophen-2-ylmethylidene)-5-heptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-1(20),2,4(19),6(18),7,9(17),11(16),12,14-nonaenylidene]methyl]thiophene
CID 102076695
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene
CID 139178721
2-(4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 696170
4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 175714790
(5Z)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dithione
CID 125477531
trimethyl(2-thiophen-2-ylethenoxy)silane
CID 72819542
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(5Z)-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 6528250
(3Z,6Z)-3-[(4-methoxyphenyl)methylidene]-1-methyl-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione
CID 67578568
(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 139087233
3-methyl-4-(thiophen-2-ylmethylidene)-1,2-oxazol-5-one
CID 705406

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine?
The IUPAC name of (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine (CID 177420875) is (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine.
What is the SMILES notation for (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine?
The canonical SMILES for (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine is COc1n/c(=C/c2cccs2)c(OC)n/c1=C/c1cccs1.
What is the InChIKey of (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine?
The InChIKey is NDLIVYWGLZSLQX-UTLPMFLDSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-19-15-13(9-11-5-3-7-21-11)18-16(20-2)14(17-15)10-12-6-4-8-22-12/h3-10H,1-2H3/b13-9+,14-10+.
What are the key properties of (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine?
(3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine has a molecular weight of 330.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-2,5-dimethoxy-3,6-bis(thiophen-2-ylmethylidene)pyrazine is sourced from PubChem (CID 177420875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).