1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole

C26H16N4S4 — CID 139236161

IUPAC1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1c(-c2csc3nc4ccccc4n23)sc2sc(-c3csc4nc5ccccc5n34)c(C)c12
InChIInChI=1S/C26H16N4S4/c1-13-21-14(2)23(20-12-32-26-28-16-8-4-6-10-18(16)30(20)26)34-24(21)33-22(13)19-11-31-25-27-15-7-3-5-9-17(15)29(19)25/h3-12H,1-2H3
InChIKeyWGPXGGJDYNTKBN-UHFFFAOYSA-N
MW512.71 g/mol
LogP8.64
Rot. Bonds2

About 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole

1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 139236161) has the molecular formula C26H16N4S4 and a molecular weight of 512.71 g/mol. Its IUPAC name is 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID139236161
Molecular FormulaC26H16N4S4
Molecular Weight512.71 g/mol
Exact Mass512.03
IUPAC Name1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1c(-c2csc3nc4ccccc4n23)sc2sc(-c3csc4nc5ccccc5n34)c(C)c12
InChIInChI=1S/C26H16N4S4/c1-13-21-14(2)23(20-12-32-26-28-16-8-4-6-10-18(16)30(20)26)34-24(21)33-22(13)19-11-31-25-27-15-7-3-5-9-17(15)29(19)25/h3-12H,1-2H3
InChIKeyWGPXGGJDYNTKBN-UHFFFAOYSA-N
XLogP8.64
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.71
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole (CID 139236161) is 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole is Cc1c(-c2csc3nc4ccccc4n23)sc2sc(-c3csc4nc5ccccc5n34)c(C)c12.
What is the InChIKey of 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is WGPXGGJDYNTKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4S4/c1-13-21-14(2)23(20-12-32-26-28-16-8-4-6-10-18(16)30(20)26)34-24(21)33-22(13)19-11-31-25-27-15-7-3-5-9-17(15)29(19)25/h3-12H,1-2H3.
What are the key properties of 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole?
1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 512.71 g/mol, XLogP of 8.64, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethyl-5-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)thieno[2,3-b]thiophen-2-yl]-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 139236161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).