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

C12H15N3OS — CID 62195346

IUPAC4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCCc1cccc(OCc2nnsc2NC)c1
InChIInChI=1S/C12H15N3OS/c1-3-9-5-4-6-10(7-9)16-8-11-12(13-2)17-15-14-11/h4-7,13H,3,8H2,1-2H3
InChIKeyOSFWAMFLIJZMJK-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.72
Rot. Bonds5

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

4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62195346) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
PubChem CID62195346
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine
SMILESCCc1cccc(OCc2nnsc2NC)c1
InChIInChI=1S/C12H15N3OS/c1-3-9-5-4-6-10(7-9)16-8-11-12(13-2)17-15-14-11/h4-7,13H,3,8H2,1-2H3
InChIKeyOSFWAMFLIJZMJK-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
N-methyl-4-[(3-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62195635
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-methylthiadiazol-5-amine
CID 62193615
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
CID 82832358
N-methyl-4-[(2-propoxyphenoxy)methyl]thiadiazol-5-amine
CID 62193214
3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765480
4-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 82225632
4-[(2,4-difluorophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62193681
N-methyl-4-[(2-methylsulfanylphenoxy)methyl]thiadiazol-5-amine
CID 55246729

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine (CID 62195346) is 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine is CCc1cccc(OCc2nnsc2NC)c1.
What is the InChIKey of 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is OSFWAMFLIJZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-9-5-4-6-10(7-9)16-8-11-12(13-2)17-15-14-11/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine?
4-[(3-ethylphenoxy)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 2.72, 5 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-methylthiadiazol-5-amine is sourced from PubChem (CID 62195346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).