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

C15H21N5O2S — CID 133335287

IUPAC3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCc2cccnc2N2CCOCC2)n1
InChIInChI=1S/C15H21N5O2S/c1-21-8-4-13-18-15(23-19-13)17-11-12-3-2-5-16-14(12)20-6-9-22-10-7-20/h2-3,5H,4,6-11H2,1H3,(H,17,18,19)
InChIKeyYGAGKCLWBROZIZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.57
Rot. Bonds7

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

3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133335287) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133335287
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCc2cccnc2N2CCOCC2)n1
InChIInChI=1S/C15H21N5O2S/c1-21-8-4-13-18-15(23-19-13)17-11-12-3-2-5-16-14(12)20-6-9-22-10-7-20/h2-3,5H,4,6-11H2,1H3,(H,17,18,19)
InChIKeyYGAGKCLWBROZIZ-UHFFFAOYSA-N
XLogP1.57
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
3-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352124
1-(2-methoxyethyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 75419719
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352016
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
3-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133335113
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 48986231
4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-propan-2-ylpyrimidin-2-amine
CID 136557232
3-(2-methoxyethyl)-N-[(4-methoxyoxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133399851
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine (CID 133335287) is 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCc2cccnc2N2CCOCC2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YGAGKCLWBROZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-21-8-4-13-18-15(23-19-13)17-11-12-3-2-5-16-14(12)20-6-9-22-10-7-20/h2-3,5H,4,6-11H2,1H3,(H,17,18,19).
What are the key properties of 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 335.43 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133335287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).