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

C14H19N3O2S — CID 63985599

IUPAC4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1cccc(COC)c1
InChIInChI=1S/C14H19N3O2S/c1-3-7-15-14-13(16-17-20-14)10-19-12-6-4-5-11(8-12)9-18-2/h4-6,8,15H,3,7,9-10H2,1-2H3
InChIKeyKEQCJNMGLRHFPG-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.09
Rot. Bonds8

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

4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine (PubChem CID 63985599) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
PubChem CID63985599
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COc1cccc(COC)c1
InChIInChI=1S/C14H19N3O2S/c1-3-7-15-14-13(16-17-20-14)10-19-12-6-4-5-11(8-12)9-18-2/h4-6,8,15H,3,7,9-10H2,1-2H3
InChIKeyKEQCJNMGLRHFPG-UHFFFAOYSA-N
XLogP3.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62195346
4-[(2-methoxy-4-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 62195666
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
N-propyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]thiadiazol-5-amine
CID 103290199
4-[(5-fluoro-2-methylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 102984989
4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
CID 65125240
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
5-bromo-4-[3-(methoxymethyl)phenoxy]-N-propylpyrimidin-2-amine
CID 80880225
N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62195635
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine (CID 63985599) is 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1COc1cccc(COC)c1.
What is the InChIKey of 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is KEQCJNMGLRHFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-7-15-14-13(16-17-20-14)10-19-12-6-4-5-11(8-12)9-18-2/h4-6,8,15H,3,7,9-10H2,1-2H3.
What are the key properties of 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine?
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 293.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 63985599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).