2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

C24H8F2N6S6 — CID 170275003

IUPAC2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFc1cnc(-c2cc3sc(-c4nc5sc(-c6cc7sc(-c8ncc(F)cn8)cc7s6)nc5s4)cc3s2)nc1
InChIInChI=1S/C24H8F2N6S6/c25-9-5-27-19(28-6-9)15-1-11-13(33-15)3-17(35-11)21-31-23-24(37-21)32-22(38-23)18-4-14-12(36-18)2-16(34-14)20-29-7-10(26)8-30-20/h1-8H
InChIKeyXSNXWVPYEPEQBV-UHFFFAOYSA-N
MW610.77 g/mol
LogP8.83
Rot. Bonds4

About 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole

2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 170275003) has the molecular formula C24H8F2N6S6 and a molecular weight of 610.77 g/mol. Its IUPAC name is 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID170275003
Molecular FormulaC24H8F2N6S6
Molecular Weight610.77 g/mol
Exact Mass609.91
IUPAC Name2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESFc1cnc(-c2cc3sc(-c4nc5sc(-c6cc7sc(-c8ncc(F)cn8)cc7s6)nc5s4)cc3s2)nc1
InChIInChI=1S/C24H8F2N6S6/c25-9-5-27-19(28-6-9)15-1-11-13(33-15)3-17(35-11)21-31-23-24(37-21)32-22(38-23)18-4-14-12(36-18)2-16(34-14)20-29-7-10(26)8-30-20/h1-8H
InChIKeyXSNXWVPYEPEQBV-UHFFFAOYSA-N
XLogP8.83
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500610.77
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

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
2,5-bis(2-fluorothieno[2,3-f][1]benzothiol-6-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 170274969
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
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-fluoro-2-pyridinyl)-1-benzothiophene-6-carboxamide
CID 45142264
4-fluoro-6-(5-fluoropyrimidin-2-yl)pyrimidine
CID 178126913
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-(5-fluoro-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109641
5-(5-fluoro-4-methoxypyrimidin-2-yl)-2-methyl-1,3-benzothiazole
CID 155916267
3,7-bis(7-fluoro-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)-1,5-naphthyridine
CID 170275010
2-[5-[5-[5-(5-cyanopyrimidin-2-yl)furan-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]furan-2-yl]pyrimidine-5-carbonitrile
CID 170275705
azane;4-(5-fluoropyrimidin-2-yl)pyridin-3-amine
CID 90408875

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 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) is 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is Fc1cnc(-c2cc3sc(-c4nc5sc(-c6cc7sc(-c8ncc(F)cn8)cc7s6)nc5s4)cc3s2)nc1.
What is the InChIKey of 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is XSNXWVPYEPEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8F2N6S6/c25-9-5-27-19(28-6-9)15-1-11-13(33-15)3-17(35-11)21-31-23-24(37-21)32-22(38-23)18-4-14-12(36-18)2-16(34-14)20-29-7-10(26)8-30-20/h1-8H.
What are the key properties of 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 610.77 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(5-fluoropyrimidin-2-yl)thieno[3,2-b]thiophen-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 170275003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).