4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol

C25H26N4O5S2 — CID 130179532

IUPAC4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol
SMILESCCc1nn2cc(-c3cc4c(OCc5nc(C6(O)CCOCC6)sc5C)cc(OC)cc4o3)nc2s1
InChIInChI=1S/C25H26N4O5S2/c1-4-22-28-29-12-17(27-24(29)36-22)21-11-16-19(9-15(31-3)10-20(16)34-21)33-13-18-14(2)35-23(26-18)25(30)5-7-32-8-6-25/h9-12,30H,4-8,13H2,1-3H3
InChIKeyHNUYCDRVAGIFHM-UHFFFAOYSA-N
MW526.64 g/mol
LogP5.12
Rot. Bonds7

About 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol

4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol (PubChem CID 130179532) has the molecular formula C25H26N4O5S2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol
PubChem CID130179532
Molecular FormulaC25H26N4O5S2
Molecular Weight526.64 g/mol
Exact Mass526.13
IUPAC Name4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol
SMILESCCc1nn2cc(-c3cc4c(OCc5nc(C6(O)CCOCC6)sc5C)cc(OC)cc4o3)nc2s1
InChIInChI=1S/C25H26N4O5S2/c1-4-22-28-29-12-17(27-24(29)36-22)21-11-16-19(9-15(31-3)10-20(16)34-21)33-13-18-14(2)35-23(26-18)25(30)5-7-32-8-6-25/h9-12,30H,4-8,13H2,1-3H3
InChIKeyHNUYCDRVAGIFHM-UHFFFAOYSA-N
XLogP5.12
TPSA104.14 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol with MolForge

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Related Compounds

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
2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol
CID 130179568
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
6-[4-[[2-(3-ethylphenyl)-5-methyl-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 130375612
3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1-methylspiro[1λ4-thia-4-azabicyclo[3.1.0]hexa-2,4-diene-6,4'-oxane]
CID 170068068
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
[(3S)-4-[[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]phenyl]methyl]morpholin-3-yl]methanol
CID 154632798
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068442
[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
4-[4-[[2-[2-(1-fluoroethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-6-methoxy-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-2,6-dimethyloxan-4-ol
CID 123451263
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872
2-methoxy-6-[6-methoxy-4-[[(3R)-1-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 139293044

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol?
The IUPAC name of 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol (CID 130179532) is 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol.
What is the SMILES notation for 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol?
The canonical SMILES for 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol is CCc1nn2cc(-c3cc4c(OCc5nc(C6(O)CCOCC6)sc5C)cc(OC)cc4o3)nc2s1.
What is the InChIKey of 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol?
The InChIKey is HNUYCDRVAGIFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S2/c1-4-22-28-29-12-17(27-24(29)36-22)21-11-16-19(9-15(31-3)10-20(16)34-21)33-13-18-14(2)35-23(26-18)25(30)5-7-32-8-6-25/h9-12,30H,4-8,13H2,1-3H3.
What are the key properties of 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol?
4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol has a molecular weight of 526.64 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]oxan-4-ol is sourced from PubChem (CID 130179532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).