[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine

C12H15N3O2S — CID 65273643

IUPAC[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1Oc1nc(C)ns1
InChIInChI=1S/C12H15N3O2S/c1-3-16-11-6-9(7-13)4-5-10(11)17-12-14-8(2)15-18-12/h4-6H,3,7,13H2,1-2H3
InChIKeyHXIYGVHKCJWDFE-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.50
Rot. Bonds5

About [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine

[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine (PubChem CID 65273643) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine
PubChem CID65273643
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine
SMILESCCOc1cc(CN)ccc1Oc1nc(C)ns1
InChIInChI=1S/C12H15N3O2S/c1-3-16-11-6-9(7-13)4-5-10(11)17-12-14-8(2)15-18-12/h4-6H,3,7,13H2,1-2H3
InChIKeyHXIYGVHKCJWDFE-UHFFFAOYSA-N
XLogP2.50
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine
CID 16643394
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethanamine
CID 65273584
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
CID 169488700
5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65273260
(3-ethoxy-4-pyrazolo[1,5-a]pyrazin-4-yloxyphenyl)methanamine
CID 104733328
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
CID 65273279
[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methanamine
CID 60878481
[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine
CID 65208777
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
[4-(2-ethoxyphenoxy)-3-fluorophenyl]methanamine
CID 28966043

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine?
The IUPAC name of [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine (CID 65273643) is [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine is CCOc1cc(CN)ccc1Oc1nc(C)ns1.
What is the InChIKey of [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine?
The InChIKey is HXIYGVHKCJWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-16-11-6-9(7-13)4-5-10(11)17-12-14-8(2)15-18-12/h4-6H,3,7,13H2,1-2H3.
What are the key properties of [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine?
[3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 65273643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).