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

C24H25FN4O4S2 — CID 146232206

IUPAC2-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
SMILESCCC1Nn2cc(-c3cc4c(OCc5csc(C6(F)CCOCC6)n5)cc(OC)cc4o3)nc2S1
InChIInChI=1S/C24H25FN4O4S2/c1-3-21-28-29-11-17(27-23(29)35-21)20-10-16-18(8-15(30-2)9-19(16)33-20)32-12-14-13-34-22(26-14)24(25)4-6-31-7-5-24/h8-11,13,21,28H,3-7,12H2,1-2H3
InChIKeyRTWUQXANLSURFF-UHFFFAOYSA-N
MW516.62 g/mol
LogP5.70
Rot. Bonds7

About 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

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 (PubChem CID 146232206) has the molecular formula C24H25FN4O4S2 and a molecular weight of 516.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID146232206
Molecular FormulaC24H25FN4O4S2
Molecular Weight516.62 g/mol
Exact Mass516.13
IUPAC Name2-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
SMILESCCC1Nn2cc(-c3cc4c(OCc5csc(C6(F)CCOCC6)n5)cc(OC)cc4o3)nc2S1
InChIInChI=1S/C24H25FN4O4S2/c1-3-21-28-29-11-17(27-23(29)35-21)20-10-16-18(8-15(30-2)9-19(16)33-20)32-12-14-13-34-22(26-14)24(25)4-6-31-7-5-24/h8-11,13,21,28H,3-7,12H2,1-2H3
InChIKeyRTWUQXANLSURFF-UHFFFAOYSA-N
XLogP5.70
TPSA83.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-(4-fluorophenyl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
CID 163215752
[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
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
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
4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 163215739
2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
CID 163215736
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 130179601
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-[4-[[2-(2-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 129286902
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1Nn2cc(-c3cc4c(OCc5csc(C6(F)CCOCC6)n5)cc(OC)cc4o3)nc2S1.
What is the InChIKey of 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?
The InChIKey is RTWUQXANLSURFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S2/c1-3-21-28-29-11-17(27-23(29)35-21)20-10-16-18(8-15(30-2)9-19(16)33-20)32-12-14-13-34-22(26-14)24(25)4-6-31-7-5-24/h8-11,13,21,28H,3-7,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 516.62 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146232206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).