N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine

C13H17N3O2S — CID 105141221

IUPACN-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(OC)c1)c1cnns1
InChIInChI=1S/C13H17N3O2S/c1-4-14-13(12-8-15-16-19-12)9-5-6-10(17-2)11(7-9)18-3/h5-8,13-14H,4H2,1-3H3
InChIKeyPFWLOPUQRHZISF-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.25
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine

N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine (PubChem CID 105141221) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
PubChem CID105141221
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(OC)c1)c1cnns1
InChIInChI=1S/C13H17N3O2S/c1-4-14-13(12-8-15-16-19-12)9-5-6-10(17-2)11(7-9)18-3/h5-8,13-14H,4H2,1-3H3
InChIKeyPFWLOPUQRHZISF-UHFFFAOYSA-N
XLogP2.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144822
N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491347
N-[2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105141112
N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144208
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105094432
N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine (CID 105141221) is N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine is CCNC(c1ccc(OC)c(OC)c1)c1cnns1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The InChIKey is PFWLOPUQRHZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-14-13(12-8-15-16-19-12)9-5-6-10(17-2)11(7-9)18-3/h5-8,13-14H,4H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine has a molecular weight of 279.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).