4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole

C24H23N5O4S — CID 126700135

IUPAC4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole
SMILESCOc1cc(OCc2csc(C3CCOCC3)n2)c2cc(-c3cn4nc(C)cnc4n3)oc2c1
InChIInChI=1S/C24H23N5O4S/c1-14-10-25-24-27-19(11-29(24)28-14)22-9-18-20(7-17(30-2)8-21(18)33-22)32-12-16-13-34-23(26-16)15-3-5-31-6-4-15/h7-11,13,15H,3-6,12H2,1-2H3
InChIKeyJUXRPJYRISHFOP-UHFFFAOYSA-N
MW477.55 g/mol
LogP4.78
Rot. Bonds6

About 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole

4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole (PubChem CID 126700135) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole
PubChem CID126700135
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole
SMILESCOc1cc(OCc2csc(C3CCOCC3)n2)c2cc(-c3cn4nc(C)cnc4n3)oc2c1
InChIInChI=1S/C24H23N5O4S/c1-14-10-25-24-27-19(11-29(24)28-14)22-9-18-20(7-17(30-2)8-21(18)33-22)32-12-16-13-34-23(26-16)15-3-5-31-6-4-15/h7-11,13,15H,3-6,12H2,1-2H3
InChIKeyJUXRPJYRISHFOP-UHFFFAOYSA-N
XLogP4.78
TPSA96.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole with MolForge

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Related Compounds

2-methoxy-6-[6-methoxy-4-[[2-[1-(trifluoromethylsulfanyl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 130179506
1-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]pyrimidin-2-yl]-4-methylpiperidin-3-ol
CID 126683712
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 130179601
methane;4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 159784372
4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 163215739
6-[6-methoxy-4-[[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 130375623
2-methoxy-6-[6-methoxy-4-[[2-[(2R)-2-methylpyrrolidin-1-yl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 170067964
2-(4-fluorophenyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
CID 163215752
1-[4-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-4-methylidenecyclohexan-1-ol
CID 130375626
2-ethyl-6-[4-[[2-(4-fluorooxan-4-yl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole
CID 146232206
4-[4-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine
CID 154632809
6-[4-[[2-(2-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 129286902

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole?
The IUPAC name of 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole (CID 126700135) is 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole?
The canonical SMILES for 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole is COc1cc(OCc2csc(C3CCOCC3)n2)c2cc(-c3cn4nc(C)cnc4n3)oc2c1.
What is the InChIKey of 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole?
The InChIKey is JUXRPJYRISHFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-14-10-25-24-27-19(11-29(24)28-14)22-9-18-20(7-17(30-2)8-21(18)33-22)32-12-16-13-34-23(26-16)15-3-5-31-6-4-15/h7-11,13,15H,3-6,12H2,1-2H3.
What are the key properties of 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole?
4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole has a molecular weight of 477.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 126700135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).