6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C26H25ClN4O4S — CID 145297497

IUPAC6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OCC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C26H25ClN4O4S/c1-32-19-11-22(34-10-8-16-7-9-30(14-16)18-5-3-17(27)4-6-18)20-13-24(35-23(20)12-19)21-15-31-25(28-21)36-26(29-31)33-2/h3-6,11-13,15-16H,7-10,14H2,1-2H3/t16-/m0/s1
InChIKeyRPFAFCFJZZUGMF-INIZCTEOSA-N
MW525.03 g/mol
LogP6.17
Rot. Bonds8

About 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 145297497) has the molecular formula C26H25ClN4O4S and a molecular weight of 525.03 g/mol. Its IUPAC name is 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID145297497
Molecular FormulaC26H25ClN4O4S
Molecular Weight525.03 g/mol
Exact Mass524.13
IUPAC Name6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cc(OCC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C26H25ClN4O4S/c1-32-19-11-22(34-10-8-16-7-9-30(14-16)18-5-3-17(27)4-6-18)20-13-24(35-23(20)12-19)21-15-31-25(28-21)36-26(29-31)33-2/h3-6,11-13,15-16H,7-10,14H2,1-2H3/t16-/m0/s1
InChIKeyRPFAFCFJZZUGMF-INIZCTEOSA-N
XLogP6.17
TPSA74.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.03
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 139293072
6-[4-[[(3S)-1-(4-fluorophenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[2-[[2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(1-phenylpiperidin-4-yl)methoxy]-1-benzofuran-6-yl]oxy]ethoxy]imidazo[2,1-b][1,3,4]thiadiazole
CID 166808970
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068442
ethyl 4-[2-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate
CID 139292995
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872
[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
2-methoxy-6-[6-methoxy-4-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936
2-methoxy-6-[6-methoxy-4-[[3-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155515625
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-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042417
2-methoxy-6-[6-methoxy-4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042410

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 145297497) is 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1cc(OCC[C@@H]2CCN(c3ccc(Cl)cc3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is RPFAFCFJZZUGMF-INIZCTEOSA-N. The full InChI is InChI=1S/C26H25ClN4O4S/c1-32-19-11-22(34-10-8-16-7-9-30(14-16)18-5-3-17(27)4-6-18)20-13-24(35-23(20)12-19)21-15-31-25(28-21)36-26(29-31)33-2/h3-6,11-13,15-16H,7-10,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 525.03 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]ethoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 145297497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).