N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

C17H17N3O4S — CID 3212717

IUPACN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H17N3O4S/c1-22-11-9-20(16(21)14-4-3-10-24-14)17-19-18-15(25-17)12-5-7-13(23-2)8-6-12/h3-8,10H,9,11H2,1-2H3
InChIKeyOZOFRALOKRJRLY-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.10
Rot. Bonds7

About N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide

N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (PubChem CID 3212717) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
PubChem CID3212717
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
SMILESCOCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H17N3O4S/c1-22-11-9-20(16(21)14-4-3-10-24-14)17-19-18-15(25-17)12-5-7-13(23-2)8-6-12/h3-8,10H,9,11H2,1-2H3
InChIKeyOZOFRALOKRJRLY-UHFFFAOYSA-N
XLogP3.10
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-ylcarbonyl)piperidine-4-carboxamide
CID 6497494
1-(furan-2-ylcarbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6497496
1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6497506
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 808863
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
CID 1409689

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide (CID 3212717) is N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is COCCN(C(=O)c1ccco1)c1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
The InChIKey is OZOFRALOKRJRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-11-9-20(16(21)14-4-3-10-24-14)17-19-18-15(25-17)12-5-7-13(23-2)8-6-12/h3-8,10H,9,11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide?
N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 3212717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).