2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole

C34H20N8OS2 — CID 141050980

IUPAC2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3sc(-c4cc5ccccc5o4)c(-c4cc[nH]n4)c3c2-c2ncccn2)nc1
InChIInChI=1S/C34H20N8OS2/c1-2-8-22-19(6-1)18-23(43-22)30-25(21-9-13-41-42-21)26-27(32-36-11-5-12-37-32)24(20-7-3-4-10-35-20)28(33-38-14-15-39-33)29(31(26)45-30)34-40-16-17-44-34/h1-18H,(H,38,39)(H,41,42)
InChIKeyPYAYCRBAEOJDBG-UHFFFAOYSA-N
MW620.72 g/mol
LogP8.74
Rot. Bonds6

About 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole

2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole (PubChem CID 141050980) has the molecular formula C34H20N8OS2 and a molecular weight of 620.72 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole
PubChem CID141050980
Molecular FormulaC34H20N8OS2
Molecular Weight620.72 g/mol
Exact Mass620.12
IUPAC Name2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3sc(-c4cc5ccccc5o4)c(-c4cc[nH]n4)c3c2-c2ncccn2)nc1
InChIInChI=1S/C34H20N8OS2/c1-2-8-22-19(6-1)18-23(43-22)30-25(21-9-13-41-42-21)26-27(32-36-11-5-12-37-32)24(20-7-3-4-10-35-20)28(33-38-14-15-39-33)29(31(26)45-30)34-40-16-17-44-34/h1-18H,(H,38,39)(H,41,42)
InChIKeyPYAYCRBAEOJDBG-UHFFFAOYSA-N
XLogP8.74
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.72
LogP ≤ 58.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

1-benzofuran;1-benzothiophene;1H-indazole;7H-purine;quinoline
CID 68641188
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-4-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)phenyl]-1,3-thiazole
CID 140989710
2-[3-(1-benzofuran-2-yl)-2-(2-benzofuran-1-yl)-5-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-6-(1H-pyrrol-2-yl)phenyl]-1,3-benzothiazole
CID 141002671
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
CID 141006443
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-indazol-1-yl-1,3-benzothiazole
CID 141018503
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
CID 141050937
2-[2-(1-benzofuran-2-yl)-7-(1H-imidazol-2-yl)-4-pyrazin-2-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzothiophen-3-yl]-1H-indole
CID 141050962
2-[6-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-7-pyridin-2-yl-1H-benzimidazol-2-yl]-1,3-thiazole
CID 141056964
1-[2-(1-benzofuran-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-6-pyrimidin-2-yl-1-benzothiophen-3-yl]-2H-isoindole
CID 141099597
3-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-5-(1H-pyrazol-5-yl)-4-pyridin-2-yl-3-pyrimidin-2-ylcyclohexa-1,3-dien-1-yl]-1H-indazole
CID 141151174
2-[3-(furan-2-yl)-7-(1H-pyrazol-3-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-2-(triazin-4-yl)indol-4-yl]-1,3-thiazole
CID 141165871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole (CID 141050980) is 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole is c1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3sc(-c4cc5ccccc5o4)c(-c4cc[nH]n4)c3c2-c2ncccn2)nc1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole?
The InChIKey is PYAYCRBAEOJDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N8OS2/c1-2-8-22-19(6-1)18-23(43-22)30-25(21-9-13-41-42-21)26-27(32-36-11-5-12-37-32)24(20-7-3-4-10-35-20)28(33-38-14-15-39-33)29(31(26)45-30)34-40-16-17-44-34/h1-18H,(H,38,39)(H,41,42).
What are the key properties of 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole?
2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole has a molecular weight of 620.72 g/mol, XLogP of 8.74, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-6-(1H-imidazol-2-yl)-3-(1H-pyrazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-1-benzothiophen-7-yl]-1,3-thiazole is sourced from PubChem (CID 141050980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).