N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide

C17H21FN4O2S2 — CID 46972422

IUPACN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
SMILESCCSc1nsc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H21FN4O2S2/c1-2-25-17-20-16(26-21-17)19-15(23)11-22-9-7-14(8-10-22)24-13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3,(H,19,20,21,23)
InChIKeyZYLCUOYGUXLJET-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.27
Rot. Bonds7

About N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide

N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide (PubChem CID 46972422) has the molecular formula C17H21FN4O2S2 and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
PubChem CID46972422
Molecular FormulaC17H21FN4O2S2
Molecular Weight396.51 g/mol
Exact Mass396.11
IUPAC NameN-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
SMILESCCSc1nsc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H21FN4O2S2/c1-2-25-17-20-16(26-21-17)19-15(23)11-22-9-7-14(8-10-22)24-13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3,(H,19,20,21,23)
InChIKeyZYLCUOYGUXLJET-UHFFFAOYSA-N
XLogP3.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
CID 46980807
2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 63282354
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride
CID 171667424
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 110881885
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46981333
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62021174
2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62672812

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide (CID 46972422) is N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide is CCSc1nsc(NC(=O)CN2CCC(Oc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
The InChIKey is ZYLCUOYGUXLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S2/c1-2-25-17-20-16(26-21-17)19-15(23)11-22-9-7-14(8-10-22)24-13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3,(H,19,20,21,23).
What are the key properties of N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide?
N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 46972422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).