4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole

C26H17NOS3 — CID 122379704

IUPAC4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole
SMILESCOc1sc2ccccc2c1-c1c(-c2csc(-c3ccccc3)n2)sc2ccccc12
InChIInChI=1S/C26H17NOS3/c1-28-26-23(18-12-6-8-14-21(18)31-26)22-17-11-5-7-13-20(17)30-24(22)19-15-29-25(27-19)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyCHFXSYKTVTULST-UHFFFAOYSA-N
MW455.63 g/mol
LogP8.58
Rot. Bonds4

About 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole

4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole (PubChem CID 122379704) has the molecular formula C26H17NOS3 and a molecular weight of 455.63 g/mol. Its IUPAC name is 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole
PubChem CID122379704
Molecular FormulaC26H17NOS3
Molecular Weight455.63 g/mol
Exact Mass455.05
IUPAC Name4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole
SMILESCOc1sc2ccccc2c1-c1c(-c2csc(-c3ccccc3)n2)sc2ccccc12
InChIInChI=1S/C26H17NOS3/c1-28-26-23(18-12-6-8-14-21(18)31-26)22-17-11-5-7-13-20(17)30-24(22)19-15-29-25(27-19)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyCHFXSYKTVTULST-UHFFFAOYSA-N
XLogP8.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.63
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole with MolForge

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Related Compounds

5-methoxy-2-phenyl-4-[3-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-2-yl]-1,3-thiazole
CID 102492833
4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole
CID 144905413
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 139226873
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
4-[3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-1-benzothiophen-3-yl]cyclopenten-1-yl]-2-methyl-1-benzothiophen-6-yl]-2-phenyl-1,3-thiazole
CID 102342594

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole (CID 122379704) is 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole is COc1sc2ccccc2c1-c1c(-c2csc(-c3ccccc3)n2)sc2ccccc12.
What is the InChIKey of 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole?
The InChIKey is CHFXSYKTVTULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NOS3/c1-28-26-23(18-12-6-8-14-21(18)31-26)22-17-11-5-7-13-20(17)30-24(22)19-15-29-25(27-19)16-9-3-2-4-10-16/h2-15H,1H3.
What are the key properties of 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole?
4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole has a molecular weight of 455.63 g/mol, XLogP of 8.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxy-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 122379704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).