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

C25H26N4O4S2 — CID 130375623

IUPAC6-[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
SMILESCOc1cc(OCc2csc(C3(OC)CCCCC3)n2)c2cc(-c3cn4nc(C)sc4n3)oc2c1
InChIInChI=1S/C25H26N4O4S2/c1-15-28-29-12-19(27-24(29)35-15)22-11-18-20(9-17(30-2)10-21(18)33-22)32-13-16-14-34-23(26-16)25(31-3)7-5-4-6-8-25/h9-12,14H,4-8,13H2,1-3H3
InChIKeyUIRHDIDROPKUQX-UHFFFAOYSA-N
MW510.64 g/mol
LogP6.36
Rot. Bonds7

About 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

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 (PubChem CID 130375623) has the molecular formula C25H26N4O4S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID130375623
Molecular FormulaC25H26N4O4S2
Molecular Weight510.64 g/mol
Exact Mass510.14
IUPAC Name6-[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
SMILESCOc1cc(OCc2csc(C3(OC)CCCCC3)n2)c2cc(-c3cn4nc(C)sc4n3)oc2c1
InChIInChI=1S/C25H26N4O4S2/c1-15-28-29-12-19(27-24(29)35-15)22-11-18-20(9-17(30-2)10-21(18)33-22)32-13-16-14-34-23(26-16)25(31-3)7-5-4-6-8-25/h9-12,14H,4-8,13H2,1-3H3
InChIKeyUIRHDIDROPKUQX-UHFFFAOYSA-N
XLogP6.36
TPSA83.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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
6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 158254875
2-methoxy-6-[6-methoxy-4-[[2-[1-(trifluoromethylsulfanyl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 130179506
2-methyl-6-(6-methyl-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 126550040
N-(aminomethyl)-4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide
CID 130179778
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-[[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OCc2csc(C3(OC)CCCCC3)n2)c2cc(-c3cn4nc(C)sc4n3)oc2c1.
What is the InChIKey of 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?
The InChIKey is UIRHDIDROPKUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S2/c1-15-28-29-12-19(27-24(29)35-15)22-11-18-20(9-17(30-2)10-21(18)33-22)32-13-16-14-34-23(26-16)25(31-3)7-5-4-6-8-25/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 510.64 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130375623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).