4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine

C14H19N3OS — CID 55045166

IUPAC4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1cccc(CC)c1
InChIInChI=1S/C14H19N3OS/c1-3-8-15-14-13(16-17-19-14)10-18-12-7-5-6-11(4-2)9-12/h5-7,9,15H,3-4,8,10H2,1-2H3
InChIKeyOCRQYFVXFSEWEC-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.50
Rot. Bonds7

About 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine

4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine (PubChem CID 55045166) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
PubChem CID55045166
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1cccc(CC)c1
InChIInChI=1S/C14H19N3OS/c1-3-8-15-14-13(16-17-19-14)10-18-12-7-5-6-11(4-2)9-12/h5-7,9,15H,3-4,8,10H2,1-2H3
InChIKeyOCRQYFVXFSEWEC-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62195346
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
N-propyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]thiadiazol-5-amine
CID 103290199
3-[(3-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62465500
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
CID 65125240
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62195635
N-[[2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422876
3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765480
4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
CID 55044701

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine (CID 55045166) is 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1COc1cccc(CC)c1.
What is the InChIKey of 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is OCRQYFVXFSEWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-8-15-14-13(16-17-19-14)10-18-12-7-5-6-11(4-2)9-12/h5-7,9,15H,3-4,8,10H2,1-2H3.
What are the key properties of 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine?
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 277.39 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55045166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).