1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

C14H19N3O2S — CID 105145714

IUPAC1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C14H19N3O2S/c1-5-11-14(20-17-16-11)13(15-2)10-8-9(18-3)6-7-12(10)19-4/h6-8,13,15H,5H2,1-4H3
InChIKeyCWAZEUZDYNLGEA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.43
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine

1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (PubChem CID 105145714) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
PubChem CID105145714
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
SMILESCCc1nnsc1C(NC)c1cc(OC)ccc1OC
InChIInChI=1S/C14H19N3O2S/c1-5-11-14(20-17-16-11)13(15-2)10-8-9(18-3)6-7-12(10)19-4/h6-8,13,15H,5H2,1-4H3
InChIKeyCWAZEUZDYNLGEA-UHFFFAOYSA-N
XLogP2.43
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105145170
1-(3,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105168316
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(4-ethylthiadiazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 105144492
[(4-ethylthiadiazol-5-yl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291606
1-(4-chloro-3-methoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105164481
1-(2,5-dimethoxyphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026152
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 105144640
[(2,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]hydrazine
CID 105305151
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
1-(4-ethylthiadiazol-5-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105186785
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine (CID 105145714) is 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is CCc1nnsc1C(NC)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
The InChIKey is CWAZEUZDYNLGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-11-14(20-17-16-11)13(15-2)10-8-9(18-3)6-7-12(10)19-4/h6-8,13,15H,5H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine?
1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine has a molecular weight of 293.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105145714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).