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

C16H14FN3O3S — CID 3212619

IUPACN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(C(=O)c1ccco1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H14FN3O3S/c1-22-10-8-20(15(21)13-3-2-9-23-13)16-19-18-14(24-16)11-4-6-12(17)7-5-11/h2-7,9H,8,10H2,1H3
InChIKeyMNCJXMLVRUVQIV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.23
Rot. Bonds6

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

N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 3212619) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID3212619
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(C(=O)c1ccco1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H14FN3O3S/c1-22-10-8-20(15(21)13-3-2-9-23-13)16-19-18-14(24-16)11-4-6-12(17)7-5-11/h2-7,9H,8,10H2,1H3
InChIKeyMNCJXMLVRUVQIV-UHFFFAOYSA-N
XLogP3.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-((3-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 5147688
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-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 3212619) is N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(C(=O)c1ccco1)c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is MNCJXMLVRUVQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-22-10-8-20(15(21)13-3-2-9-23-13)16-19-18-14(24-16)11-4-6-12(17)7-5-11/h2-7,9H,8,10H2,1H3.
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide?
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 3212619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).