3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine

C13H17N3O2S — CID 133352107

IUPAC3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N3O2S/c1-17-8-7-12-15-13(19-16-12)14-9-10-3-5-11(18-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,14,15,16)
InChIKeyZYUGTDKGIHEADB-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.35
Rot. Bonds7

About 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133352107) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133352107
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N3O2S/c1-17-8-7-12-15-13(19-16-12)14-9-10-3-5-11(18-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,14,15,16)
InChIKeyZYUGTDKGIHEADB-UHFFFAOYSA-N
XLogP2.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]acetamide
CID 133370141
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268124
3-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335113
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352016
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936
2-methoxy-6-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenol
CID 133448186
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
4-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
CID 115680838
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133358188
3-(2-methoxyethyl)-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 154784305
3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335287

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 133352107) is 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZYUGTDKGIHEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-17-8-7-12-15-13(19-16-12)14-9-10-3-5-11(18-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 279.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).