2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole

C24H8F2N2S6 — CID 170274969

IUPAC2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFc1cc2cc3sc(-c4nc5sc(-c6cc7cc8sc(F)cc8cc7s6)nc5s4)cc3cc2s1
InChIInChI=1S/C24H8F2N2S6/c25-19-7-11-3-13-9(1-15(11)31-19)5-17(29-13)21-27-23-24(33-21)28-22(34-23)18-6-10-2-16-12(4-14(10)30-18)8-20(26)32-16/h1-8H
InChIKeyCSLCSKTZBYJMDJ-UHFFFAOYSA-N
MW554.74 g/mol
LogP10.22
Rot. Bonds2

About 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 170274969) has the molecular formula C24H8F2N2S6 and a molecular weight of 554.74 g/mol. Its IUPAC name is 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID170274969
Molecular FormulaC24H8F2N2S6
Molecular Weight554.74 g/mol
Exact Mass553.90
IUPAC Name2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFc1cc2cc3sc(-c4nc5sc(-c6cc7cc8sc(F)cc8cc7s6)nc5s4)cc3cc2s1
InChIInChI=1S/C24H8F2N2S6/c25-19-7-11-3-13-9(1-15(11)31-19)5-17(29-13)21-27-23-24(33-21)28-22(34-23)18-6-10-2-16-12(4-14(10)30-18)8-20(26)32-16/h1-8H
InChIKeyCSLCSKTZBYJMDJ-UHFFFAOYSA-N
XLogP10.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-bis[6-(2,3,4,5-tetrafluorophenyl)thieno[2,3-f][1]benzothiol-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 170274980
3,7-bis(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)-1,5-naphthyridine
CID 170275010
7-fluoro-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)phenyl]phenyl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 170275021
7-fluoro-2-[4-fluoro-5-[3-fluoro-5-(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[6,5-f][1]benzothiole
CID 170275070
2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 170275003
2,5-bis[2-(3,4,5-trifluorophenyl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 170274999
2-phenyl-5-[7-(5-phenylthieno[2,3-d][1,3]thiazol-2-yl)-[1]benzothiolo[6,5-f][1]benzothiol-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 171415490
2,5-bis[5-(5-phenyl-1-benzothiophen-2-yl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 170274963
5-anthracen-2-yl-2-[2-(5-anthracen-2-yl-1,3-thiazol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-1,3-thiazole
CID 59464646
16,17,18,19-tetrafluoro-7-(2,3,4,5,6-pentafluorophenyl)-6-thiapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),2,4,7,9,11,13,15(20),16,18-decaene
CID 59741730
2,6-difluoro-5-methylsulfanyl-1-benzothiophene
CID 130969665
5-bromo-2-fluoro-6-methyl-1-benzothiophene
CID 131075792

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 170274969) is 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is Fc1cc2cc3sc(-c4nc5sc(-c6cc7cc8sc(F)cc8cc7s6)nc5s4)cc3cc2s1.
What is the InChIKey of 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is CSLCSKTZBYJMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8F2N2S6/c25-19-7-11-3-13-9(1-15(11)31-19)5-17(29-13)21-27-23-24(33-21)28-22(34-23)18-6-10-2-16-12(4-14(10)30-18)8-20(26)32-16/h1-8H.
What are the key properties of 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 554.74 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 170274969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).