6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole

C20H11N3S3 — CID 89475054

IUPAC6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole
SMILESc1nc2ccc(-c3cc4sc(-c5ccc6ncsc6c5)cc4s3)cc2[nH]1
InChIInChI=1S/C20H11N3S3/c1-3-13-15(22-9-21-13)5-11(1)16-7-19-20(25-16)8-17(26-19)12-2-4-14-18(6-12)24-10-23-14/h1-10H,(H,21,22)
InChIKeyLSEWFVICSUGBEP-UHFFFAOYSA-N
MW389.53 g/mol
LogP6.78
Rot. Bonds2

About 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole

6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole (PubChem CID 89475054) has the molecular formula C20H11N3S3 and a molecular weight of 389.53 g/mol. Its IUPAC name is 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole
PubChem CID89475054
Molecular FormulaC20H11N3S3
Molecular Weight389.53 g/mol
Exact Mass389.01
IUPAC Name6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole
SMILESc1nc2ccc(-c3cc4sc(-c5ccc6ncsc6c5)cc4s3)cc2[nH]1
InChIInChI=1S/C20H11N3S3/c1-3-13-15(22-9-21-13)5-11(1)16-7-19-20(25-16)8-17(26-19)12-2-4-14-18(6-12)24-10-23-14/h1-10H,(H,21,22)
InChIKeyLSEWFVICSUGBEP-UHFFFAOYSA-N
XLogP6.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.53
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole?
The IUPAC name of 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole (CID 89475054) is 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole?
The canonical SMILES for 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole is c1nc2ccc(-c3cc4sc(-c5ccc6ncsc6c5)cc4s3)cc2[nH]1.
What is the InChIKey of 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole?
The InChIKey is LSEWFVICSUGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3S3/c1-3-13-15(22-9-21-13)5-11(1)16-7-19-20(25-16)8-17(26-19)12-2-4-14-18(6-12)24-10-23-14/h1-10H,(H,21,22).
What are the key properties of 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole?
6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole has a molecular weight of 389.53 g/mol, XLogP of 6.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3H-benzimidazol-5-yl)thieno[3,2-b]thiophen-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 89475054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).