2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole

C23H17NO3S — CID 46846611

IUPAC2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C23H17NO3S/c1-25-15-9-7-14(8-10-15)18-13-28-23(24-18)17-11-12-20(26-2)22-21(17)16-5-3-4-6-19(16)27-22/h3-13H,1-2H3
InChIKeyOWYUXTOWWKMWBI-UHFFFAOYSA-N
MW387.46 g/mol
LogP6.39
Rot. Bonds4

About 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole

2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 46846611) has the molecular formula C23H17NO3S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID46846611
Molecular FormulaC23H17NO3S
Molecular Weight387.46 g/mol
Exact Mass387.09
IUPAC Name2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C23H17NO3S/c1-25-15-9-7-14(8-10-15)18-13-28-23(24-18)17-11-12-20(26-2)22-21(17)16-5-3-4-6-19(16)27-22/h3-13H,1-2H3
InChIKeyOWYUXTOWWKMWBI-UHFFFAOYSA-N
XLogP6.39
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole (CID 46846611) is 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(-c3ccc(OC)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is OWYUXTOWWKMWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3S/c1-25-15-9-7-14(8-10-15)18-13-28-23(24-18)17-11-12-20(26-2)22-21(17)16-5-3-4-6-19(16)27-22/h3-13H,1-2H3.
What are the key properties of 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole?
2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 387.46 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxydibenzofuran-1-yl)-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 46846611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).