N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine

C15H21N3O2S — CID 105145170

IUPACN-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1OC)c1snnc1CC
InChIInChI=1S/C15H21N3O2S/c1-5-12-15(21-18-17-12)14(16-6-2)11-8-7-10(19-3)9-13(11)20-4/h7-9,14,16H,5-6H2,1-4H3
InChIKeyRHYAVLIXDALNKB-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.82
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine

N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105145170) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105145170
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1OC)c1snnc1CC
InChIInChI=1S/C15H21N3O2S/c1-5-12-15(21-18-17-12)14(16-6-2)11-8-7-10(19-3)9-13(11)20-4/h7-9,14,16H,5-6H2,1-4H3
InChIKeyRHYAVLIXDALNKB-UHFFFAOYSA-N
XLogP2.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105145714
[(4-ethylthiadiazol-5-yl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291606
N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923601
N-[(2,5-difluorophenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105143962
N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488164
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
N-[(2,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360353
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine (CID 105145170) is N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1ccc(OC)cc1OC)c1snnc1CC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is RHYAVLIXDALNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-12-15(21-18-17-12)14(16-6-2)11-8-7-10(19-3)9-13(11)20-4/h7-9,14,16H,5-6H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine?
N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 307.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105145170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).