2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

C16H19N3O4S — CID 19178932

IUPAC2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nnc(C3CCCO3)s2)cc1
InChIInChI=1S/C16H19N3O4S/c1-2-21-11-5-7-12(8-6-11)23-10-14(20)17-16-19-18-15(24-16)13-4-3-9-22-13/h5-8,13H,2-4,9-10H2,1H3,(H,17,19,20)
InChIKeyYTEOOYLUIJQLJR-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.81
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 19178932) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID19178932
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)Nc2nnc(C3CCCO3)s2)cc1
InChIInChI=1S/C16H19N3O4S/c1-2-21-11-5-7-12(8-6-11)23-10-14(20)17-16-19-18-15(24-16)13-4-3-9-22-13/h5-8,13H,2-4,9-10H2,1H3,(H,17,19,20)
InChIKeyYTEOOYLUIJQLJR-UHFFFAOYSA-N
XLogP2.81
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 39040573
2-(2-bromophenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178796
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19178929
3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221058
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 19178932) is 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is CCOc1ccc(OCC(=O)Nc2nnc(C3CCCO3)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YTEOOYLUIJQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-21-11-5-7-12(8-6-11)23-10-14(20)17-16-19-18-15(24-16)13-4-3-9-22-13/h5-8,13H,2-4,9-10H2,1H3,(H,17,19,20).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 19178932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).