6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine

C18H20N4O4S — CID 118068377

IUPAC6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine
SMILESCOCCN(C)c1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12
InChIInChI=1S/C18H20N4O4S/c1-21(5-6-23-2)14-7-11(24-3)8-15-12(14)9-16(26-15)13-10-22-17(19-13)27-18(20-22)25-4/h7-10H,5-6H2,1-4H3
InChIKeyUPIPOHFCAXMHLT-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.30
Rot. Bonds7

About 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine

6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine (PubChem CID 118068377) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine
PubChem CID118068377
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine
SMILESCOCCN(C)c1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12
InChIInChI=1S/C18H20N4O4S/c1-21(5-6-23-2)14-7-11(24-3)8-15-12(14)9-16(26-15)13-10-22-17(19-13)27-18(20-22)25-4/h7-10H,5-6H2,1-4H3
InChIKeyUPIPOHFCAXMHLT-UHFFFAOYSA-N
XLogP3.30
TPSA74.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine?
The IUPAC name of 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine (CID 118068377) is 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine.
What is the SMILES notation for 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine?
The canonical SMILES for 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine is COCCN(C)c1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12.
What is the InChIKey of 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine?
The InChIKey is UPIPOHFCAXMHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-21(5-6-23-2)14-7-11(24-3)8-15-12(14)9-16(26-15)13-10-22-17(19-13)27-18(20-22)25-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine?
6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine has a molecular weight of 388.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine is sourced from PubChem (CID 118068377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).