2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole

C24H14N2S3 — CID 15192720

IUPAC2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)s4)cc3)nc2c1
InChIInChI=1S/C24H14N2S3/c1-3-7-20-17(5-1)25-23(28-20)16-11-9-15(10-12-16)19-13-14-22(27-19)24-26-18-6-2-4-8-21(18)29-24/h1-14H
InChIKeyJLZONTLXEFHGCP-UHFFFAOYSA-N
MW426.59 g/mol
LogP7.97
Rot. Bonds3

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

2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole (PubChem CID 15192720) has the molecular formula C24H14N2S3 and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
PubChem CID15192720
Molecular FormulaC24H14N2S3
Molecular Weight426.59 g/mol
Exact Mass426.03
IUPAC Name2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)s4)cc3)nc2c1
InChIInChI=1S/C24H14N2S3/c1-3-7-20-17(5-1)25-23(28-20)16-11-9-15(10-12-16)19-13-14-22(27-19)24-26-18-6-2-4-8-21(18)29-24/h1-14H
InChIKeyJLZONTLXEFHGCP-UHFFFAOYSA-N
XLogP7.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[3-(bromomethyl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 142679329
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
[4-(1,3-benzothiazol-2-yl)phenoxy]phosphane
CID 59576597
4-(1,3-benzothiazol-2-yl)-N-ethylaniline
CID 83380375
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
N-[4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59707544
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole (CID 15192720) is 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole is c1ccc2sc(-c3ccc(-c4ccc(-c5nc6ccccc6s5)s4)cc3)nc2c1.
What is the InChIKey of 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole?
The InChIKey is JLZONTLXEFHGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2S3/c1-3-7-20-17(5-1)25-23(28-20)16-11-9-15(10-12-16)19-13-14-22(27-19)24-26-18-6-2-4-8-21(18)29-24/h1-14H.
What are the key properties of 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole?
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole has a molecular weight of 426.59 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 15192720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).