[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

C23H25N5O6S2 — CID 130179627

IUPAC[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
SMILESCOc1cc(OCc2nc(N3CCOCC3)sc2CO)c2cc(-c3cn4c(n3)SC(OC)N4)oc2c1
InChIInChI=1S/C23H25N5O6S2/c1-30-13-7-17(33-12-16-20(11-29)35-21(25-16)27-3-5-32-6-4-27)14-9-19(34-18(14)8-13)15-10-28-22(24-15)36-23(26-28)31-2/h7-10,23,26,29H,3-6,11-12H2,1-2H3
InChIKeyOQLVWZVBXXILDM-UHFFFAOYSA-N
MW531.62 g/mol
LogP3.25
Rot. Bonds8

About [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

[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 (PubChem CID 130179627) has the molecular formula C23H25N5O6S2 and a molecular weight of 531.62 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID130179627
Molecular FormulaC23H25N5O6S2
Molecular Weight531.62 g/mol
Exact Mass531.12
IUPAC Name[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
SMILESCOc1cc(OCc2nc(N3CCOCC3)sc2CO)c2cc(-c3cn4c(n3)SC(OC)N4)oc2c1
InChIInChI=1S/C23H25N5O6S2/c1-30-13-7-17(33-12-16-20(11-29)35-21(25-16)27-3-5-32-6-4-27)14-9-19(34-18(14)8-13)15-10-28-22(24-15)36-23(26-28)31-2/h7-10,23,26,29H,3-6,11-12H2,1-2H3
InChIKeyOQLVWZVBXXILDM-UHFFFAOYSA-N
XLogP3.25
TPSA116.27 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze [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 with MolForge

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Launch Full Analysis

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
4-[4-[[6-methoxy-2-(2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylbenzamide
CID 146232216
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
[(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-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
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
6-(5-chloro-6-methyl-1-benzofuran-2-yl)-2-methoxy-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole
CID 126729467
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
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
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
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
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1cc(OCc2nc(N3CCOCC3)sc2CO)c2cc(-c3cn4c(n3)SC(OC)N4)oc2c1.
What is the InChIKey of [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?
The InChIKey is OQLVWZVBXXILDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6S2/c1-30-13-7-17(33-12-16-20(11-29)35-21(25-16)27-3-5-32-6-4-27)14-9-19(34-18(14)8-13)15-10-28-22(24-15)36-23(26-28)31-2/h7-10,23,26,29H,3-6,11-12H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 531.62 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 130179627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).