N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide

C14H17N3O3S — CID 71946110

IUPACN-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCOc2ccccc2OC)s1
InChIInChI=1S/C14H17N3O3S/c1-3-12(18)15-14-17-16-13(21-14)8-9-20-11-7-5-4-6-10(11)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyMGJKVYWXGXWSNT-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.52
Rot. Bonds7

About N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 71946110) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID71946110
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(CCOc2ccccc2OC)s1
InChIInChI=1S/C14H17N3O3S/c1-3-12(18)15-14-17-16-13(21-14)8-9-20-11-7-5-4-6-10(11)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18)
InChIKeyMGJKVYWXGXWSNT-UHFFFAOYSA-N
XLogP2.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 71946110) is N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(CCOc2ccccc2OC)s1.
What is the InChIKey of N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is MGJKVYWXGXWSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-12(18)15-14-17-16-13(21-14)8-9-20-11-7-5-4-6-10(11)19-2/h4-7H,3,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 307.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 71946110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).