2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole

C30H16N4S4 — CID 169314021

IUPAC2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
SMILESc1cc(-c2ccc(-c3nc4cc5cc6sc(-c7ccc(-c8ccncc8)s7)nc6cc5cc4s3)s2)ccn1
InChIInChI=1S/C30H16N4S4/c1-3-25(35-23(1)17-5-9-31-10-6-17)29-33-21-13-19-16-28-22(14-20(19)15-27(21)37-29)34-30(38-28)26-4-2-24(36-26)18-7-11-32-12-8-18/h1-16H
InChIKeySYLXZPVRHMPCIL-UHFFFAOYSA-N
MW560.75 g/mol
LogP9.64
Rot. Bonds4

About 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole

2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole (PubChem CID 169314021) has the molecular formula C30H16N4S4 and a molecular weight of 560.75 g/mol. Its IUPAC name is 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
PubChem CID169314021
Molecular FormulaC30H16N4S4
Molecular Weight560.75 g/mol
Exact Mass560.03
IUPAC Name2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
SMILESc1cc(-c2ccc(-c3nc4cc5cc6sc(-c7ccc(-c8ccncc8)s7)nc6cc5cc4s3)s2)ccn1
InChIInChI=1S/C30H16N4S4/c1-3-25(35-23(1)17-5-9-31-10-6-17)29-33-21-13-19-16-28-22(14-20(19)15-27(21)37-29)34-30(38-28)26-4-2-24(36-26)18-7-11-32-12-8-18/h1-16H
InChIKeySYLXZPVRHMPCIL-UHFFFAOYSA-N
XLogP9.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.75
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole with MolForge

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Related Compounds

2,7-bis[5-(4-fluoro-5-phenylthiophen-2-yl)thiophen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314052
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720
5,6-dimethoxy-2-pyridin-4-yl-1,3-benzothiazole
CID 67094273
4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 23386720
2-[5-[3-(bromomethyl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 142679329
5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-amine
CID 59680177
5-pyridin-4-ylthiophene-2-thiol
CID 164530717
2-(2-pyridin-4-yl-1,3-benzothiazol-6-yl)acetic acid
CID 39105403
2,7-bis[6-(2,3,4,5,6-pentafluorophenyl)naphthalen-2-yl]-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314048
2-[6-(4-pyridin-4-ylphenyl)naphthalen-2-yl]-1,3-benzothiazole
CID 171056370
2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344433
2-methyl-1-[(2-pyridin-4-yl-1,3-benzothiazol-6-yl)oxy]propan-2-amine
CID 82190090

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole?
The IUPAC name of 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole (CID 169314021) is 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole.
What is the SMILES notation for 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole?
The canonical SMILES for 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole is c1cc(-c2ccc(-c3nc4cc5cc6sc(-c7ccc(-c8ccncc8)s7)nc6cc5cc4s3)s2)ccn1.
What is the InChIKey of 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole?
The InChIKey is SYLXZPVRHMPCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4S4/c1-3-25(35-23(1)17-5-9-31-10-6-17)29-33-21-13-19-16-28-22(14-20(19)15-27(21)37-29)34-30(38-28)26-4-2-24(36-26)18-7-11-32-12-8-18/h1-16H.
What are the key properties of 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole?
2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole has a molecular weight of 560.75 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole is sourced from PubChem (CID 169314021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).