5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole

C26H19N3O3S — CID 54612747

IUPAC5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole
SMILESCOc1ccc(-c2nc3sccn3c2-c2cc(-c3ccc4cc(OC)ccc4c3)on2)cc1
InChIInChI=1S/C26H19N3O3S/c1-30-20-8-5-16(6-9-20)24-25(29-11-12-33-26(29)27-24)22-15-23(32-28-22)19-4-3-18-14-21(31-2)10-7-17(18)13-19/h3-15H,1-2H3
InChIKeyVABQQWKYALHHNB-UHFFFAOYSA-N
MW453.52 g/mol
LogP6.56
Rot. Bonds5

About 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole

5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole (PubChem CID 54612747) has the molecular formula C26H19N3O3S and a molecular weight of 453.52 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole
PubChem CID54612747
Molecular FormulaC26H19N3O3S
Molecular Weight453.52 g/mol
Exact Mass453.11
IUPAC Name5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole
SMILESCOc1ccc(-c2nc3sccn3c2-c2cc(-c3ccc4cc(OC)ccc4c3)on2)cc1
InChIInChI=1S/C26H19N3O3S/c1-30-20-8-5-16(6-9-20)24-25(29-11-12-33-26(29)27-24)22-15-23(32-28-22)19-4-3-18-14-21(31-2)10-7-17(18)13-19/h3-15H,1-2H3
InChIKeyVABQQWKYALHHNB-UHFFFAOYSA-N
XLogP6.56
TPSA61.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole (CID 54612747) is 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole is COc1ccc(-c2nc3sccn3c2-c2cc(-c3ccc4cc(OC)ccc4c3)on2)cc1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
The InChIKey is VABQQWKYALHHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O3S/c1-30-20-8-5-16(6-9-20)24-25(29-11-12-33-26(29)27-24)22-15-23(32-28-22)19-4-3-18-14-21(31-2)10-7-17(18)13-19/h3-15H,1-2H3.
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole?
5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole has a molecular weight of 453.52 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 54612747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).