2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole

C26H16N4S4 — CID 139236157

IUPAC2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1c(-c2cn3c(n2)sc2ccccc23)sc2sc(-c3cn4c(n3)sc3ccccc34)c(C)c12
InChIInChI=1S/C26H16N4S4/c1-13-21-14(2)23(16-12-30-18-8-4-6-10-20(18)32-26(30)28-16)34-24(21)33-22(13)15-11-29-17-7-3-5-9-19(17)31-25(29)27-15/h3-12H,1-2H3
InChIKeyDTAJZTHKFGZCQO-UHFFFAOYSA-N
MW512.71 g/mol
LogP8.64
Rot. Bonds2

About 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole

2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 139236157) has the molecular formula C26H16N4S4 and a molecular weight of 512.71 g/mol. Its IUPAC name is 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID139236157
Molecular FormulaC26H16N4S4
Molecular Weight512.71 g/mol
Exact Mass512.03
IUPAC Name2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole
SMILESCc1c(-c2cn3c(n2)sc2ccccc23)sc2sc(-c3cn4c(n3)sc3ccccc34)c(C)c12
InChIInChI=1S/C26H16N4S4/c1-13-21-14(2)23(16-12-30-18-8-4-6-10-20(18)32-26(30)28-16)34-24(21)33-22(13)15-11-29-17-7-3-5-9-19(17)31-25(29)27-15/h3-12H,1-2H3
InChIKeyDTAJZTHKFGZCQO-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

Analyze 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole (CID 139236157) is 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole is Cc1c(-c2cn3c(n2)sc2ccccc23)sc2sc(-c3cn4c(n3)sc3ccccc34)c(C)c12.
What is the InChIKey of 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is DTAJZTHKFGZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4S4/c1-13-21-14(2)23(16-12-30-18-8-4-6-10-20(18)32-26(30)28-16)34-24(21)33-22(13)15-11-29-17-7-3-5-9-19(17)31-25(29)27-15/h3-12H,1-2H3.
What are the key properties of 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole?
2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole 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 2-(5-imidazo[2,1-b][1,3]benzothiazol-2-yl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 139236157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).