N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide

C18H17FN4O2S — CID 156584405

IUPACN-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCCc1ccc(OC(C)c2nnc(NC(=O)c3ccncc3F)s2)cc1
InChIInChI=1S/C18H17FN4O2S/c1-3-12-4-6-13(7-5-12)25-11(2)17-22-23-18(26-17)21-16(24)14-8-9-20-10-15(14)19/h4-11H,3H2,1-2H3,(H,21,23,24)
InChIKeyFVQUENMMSLCTDT-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.03
Rot. Bonds6

About N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide

N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 156584405) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID156584405
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCCc1ccc(OC(C)c2nnc(NC(=O)c3ccncc3F)s2)cc1
InChIInChI=1S/C18H17FN4O2S/c1-3-12-4-6-13(7-5-12)25-11(2)17-22-23-18(26-17)21-16(24)14-8-9-20-10-15(14)19/h4-11H,3H2,1-2H3,(H,21,23,24)
InChIKeyFVQUENMMSLCTDT-UHFFFAOYSA-N
XLogP4.03
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-methoxyacetamide;formic acid
CID 163338081
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 35042968
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46975075
2-(4-ethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133235749
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
3-fluoro-N-(2-methoxypyrimidin-5-yl)pyridine-4-carboxamide
CID 122301656

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide (CID 156584405) is N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide is CCc1ccc(OC(C)c2nnc(NC(=O)c3ccncc3F)s2)cc1.
What is the InChIKey of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is FVQUENMMSLCTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-3-12-4-6-13(7-5-12)25-11(2)17-22-23-18(26-17)21-16(24)14-8-9-20-10-15(14)19/h4-11H,3H2,1-2H3,(H,21,23,24).
What are the key properties of N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide?
N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-ethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 156584405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).