2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid

C17H23N3O3S — CID 67643267

IUPAC2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid
SMILESCCC1=NN(c2ccc(OCC(=O)O)cc2)C(C2CCNCC2)S1
InChIInChI=1S/C17H23N3O3S/c1-2-15-19-20(17(24-15)12-7-9-18-10-8-12)13-3-5-14(6-4-13)23-11-16(21)22/h3-6,12,17-18H,2,7-11H2,1H3,(H,21,22)
InChIKeyLOJNSTUYIRYCFQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid

2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid (PubChem CID 67643267) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid
PubChem CID67643267
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid
SMILESCCC1=NN(c2ccc(OCC(=O)O)cc2)C(C2CCNCC2)S1
InChIInChI=1S/C17H23N3O3S/c1-2-15-19-20(17(24-15)12-7-9-18-10-8-12)13-3-5-14(6-4-13)23-11-16(21)22/h3-6,12,17-18H,2,7-11H2,1H3,(H,21,22)
InChIKeyLOJNSTUYIRYCFQ-UHFFFAOYSA-N
XLogP2.75
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylpropyl 2-[4-(5-carbamoyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetate
CID 67643896
2-[4-[4-[amino(piperidin-4-yl)methyl]piperidin-1-yl]phenoxy]acetic acid
CID 67597157
2-[4-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]phenoxy]acetic acid;hydrochloride
CID 19602881
2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579
2-[4-(aminomethyl)phenoxy]acetic acid;ethane;piperidine-4-carboxylic acid
CID 143289361
2-[4-[4-[(benzylamino)-piperidin-4-ylmethyl]piperidin-1-yl]phenoxy]acetic acid
CID 19602850
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
2-phenoxyacetic acid;piperazine
CID 54610102
2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid
CID 79695614
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[4-(2-oxoimidazolidin-1-yl)phenoxy]acetic acid
CID 63771692

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid (CID 67643267) is 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid is CCC1=NN(c2ccc(OCC(=O)O)cc2)C(C2CCNCC2)S1.
What is the InChIKey of 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid?
The InChIKey is LOJNSTUYIRYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-2-15-19-20(17(24-15)12-7-9-18-10-8-12)13-3-5-14(6-4-13)23-11-16(21)22/h3-6,12,17-18H,2,7-11H2,1H3,(H,21,22).
What are the key properties of 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid?
2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid has a molecular weight of 349.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-2-piperidin-4-yl-2H-1,3,4-thiadiazol-3-yl)phenoxy]acetic acid is sourced from PubChem (CID 67643267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).