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

C23H23N5O4S2 — CID 154632809

IUPAC4-[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
SMILESCOc1cc(OCc2nc(N3CCOCC3)sc2C)c2cc(-c3cn4nc(C)sc4n3)oc2c1
InChIInChI=1S/C23H23N5O4S2/c1-13-18(25-22(33-13)27-4-6-30-7-5-27)12-31-19-8-15(29-3)9-20-16(19)10-21(32-20)17-11-28-23(24-17)34-14(2)26-28/h8-11H,4-7,12H2,1-3H3
InChIKeyUTABGECRDBLVOE-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.70
Rot. Bonds6

About 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

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 (PubChem CID 154632809) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID154632809
Molecular FormulaC23H23N5O4S2
Molecular Weight497.60 g/mol
Exact Mass497.12
IUPAC Name4-[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
SMILESCOc1cc(OCc2nc(N3CCOCC3)sc2C)c2cc(-c3cn4nc(C)sc4n3)oc2c1
InChIInChI=1S/C23H23N5O4S2/c1-13-18(25-22(33-13)27-4-6-30-7-5-27)12-31-19-8-15(29-3)9-20-16(19)10-21(32-20)17-11-28-23(24-17)34-14(2)26-28/h8-11H,4-7,12H2,1-3H3
InChIKeyUTABGECRDBLVOE-UHFFFAOYSA-N
XLogP4.70
TPSA87.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

[(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
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
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
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
[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]methanol
CID 130179627
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
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-methyl-6-(6-methyl-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 126550040
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068442
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
6-[4-[[3-[(3-chloro-4-methylphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068608

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OCc2nc(N3CCOCC3)sc2C)c2cc(-c3cn4nc(C)sc4n3)oc2c1.
What is the InChIKey of 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?
The InChIKey is UTABGECRDBLVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-13-18(25-22(33-13)27-4-6-30-7-5-27)12-31-19-8-15(29-3)9-20-16(19)10-21(32-20)17-11-28-23(24-17)34-14(2)26-28/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 497.60 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154632809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).