6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C23H17FN6O3S2 — CID 138581301

IUPAC6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cccc(OCc4cc(-c5cn6nc(OC)sc6n5)ccc4F)c3)nc2s1
InChIInChI=1S/C23H17FN6O3S2/c1-31-22-27-29-10-18(25-20(29)34-22)13-4-3-5-16(9-13)33-12-15-8-14(6-7-17(15)24)19-11-30-21(26-19)35-23(28-30)32-2/h3-11H,12H2,1-2H3
InChIKeyZVDSHJNVDBLYNS-UHFFFAOYSA-N
MW508.56 g/mol
LogP4.96
Rot. Bonds7

About 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 138581301) has the molecular formula C23H17FN6O3S2 and a molecular weight of 508.56 g/mol. Its IUPAC name is 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID138581301
Molecular FormulaC23H17FN6O3S2
Molecular Weight508.56 g/mol
Exact Mass508.08
IUPAC Name6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1nn2cc(-c3cccc(OCc4cc(-c5cn6nc(OC)sc6n5)ccc4F)c3)nc2s1
InChIInChI=1S/C23H17FN6O3S2/c1-31-22-27-29-10-18(25-20(29)34-22)13-4-3-5-16(9-13)33-12-15-8-14(6-7-17(15)24)19-11-30-21(26-19)35-23(28-30)32-2/h3-11H,12H2,1-2H3
InChIKeyZVDSHJNVDBLYNS-UHFFFAOYSA-N
XLogP4.96
TPSA88.07 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-[4-[[3-[(2,3-difluorophenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068646
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
6-[4-[[2-(4-fluorophenyl)-4-pyridinyl]oxymethyl]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 139374166
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
tert-butyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139374312
6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 147244081
6-[4-[[3-[(2,6-dimethoxyphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068713
2-methoxy-6-[6-methoxy-4-[[3-(4-methylsulfonylpiperazin-1-yl)phenoxy]methyl]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 139374128
2-methoxy-6-[6-methoxy-4-[[3-[(2-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068644
6-[6-methoxy-4-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenoxy]methyl]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 139374283

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 138581301) is 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is COc1nn2cc(-c3cccc(OCc4cc(-c5cn6nc(OC)sc6n5)ccc4F)c3)nc2s1.
What is the InChIKey of 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is ZVDSHJNVDBLYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O3S2/c1-31-22-27-29-10-18(25-20(29)34-22)13-4-3-5-16(9-13)33-12-15-8-14(6-7-17(15)24)19-11-30-21(26-19)35-23(28-30)32-2/h3-11H,12H2,1-2H3.
What are the key properties of 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 508.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 138581301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).