N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

C15H21N3O2S — CID 105143439

IUPACN-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)c(OCC)c1)c1cnsn1
InChIInChI=1S/C15H21N3O2S/c1-4-16-15(12-10-17-21-18-12)11-7-8-13(19-5-2)14(9-11)20-6-3/h7-10,15-16H,4-6H2,1-3H3
InChIKeyDQILRCNGKTVILS-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.03
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (PubChem CID 105143439) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
PubChem CID105143439
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)c(OCC)c1)c1cnsn1
InChIInChI=1S/C15H21N3O2S/c1-4-16-15(12-10-17-21-18-12)11-7-8-13(19-5-2)14(9-11)20-6-3/h7-10,15-16H,4-6H2,1-3H3
InChIKeyDQILRCNGKTVILS-UHFFFAOYSA-N
XLogP3.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105145630
N-[(2-methoxy-5-methylphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105144099
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
[(3,4-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105301107
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105146743
N-[(3-bromo-2,4-dimethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 103524511
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105097727
N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491347

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (CID 105143439) is N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is CCNC(c1ccc(OCC)c(OCC)c1)c1cnsn1.
What is the InChIKey of N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The InChIKey is DQILRCNGKTVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-16-15(12-10-17-21-18-12)11-7-8-13(19-5-2)14(9-11)20-6-3/h7-10,15-16H,4-6H2,1-3H3.
What are the key properties of N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine has a molecular weight of 307.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105143439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).