4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine

C10H20N4O2S — CID 62209784

IUPAC4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine
SMILESCOCCCN(CCOC)Cc1nnsc1N
InChIInChI=1S/C10H20N4O2S/c1-15-6-3-4-14(5-7-16-2)8-9-10(11)17-13-12-9/h3-8,11H2,1-2H3
InChIKeyABHPKQULNZQQMO-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.61
Rot. Bonds9

About 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine

4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine (PubChem CID 62209784) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine
PubChem CID62209784
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine
SMILESCOCCCN(CCOC)Cc1nnsc1N
InChIInChI=1S/C10H20N4O2S/c1-15-6-3-4-14(5-7-16-2)8-9-10(11)17-13-12-9/h3-8,11H2,1-2H3
InChIKeyABHPKQULNZQQMO-UHFFFAOYSA-N
XLogP0.61
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-ethoxyethyl(ethyl)amino]methyl]thiadiazol-5-amine
CID 63692487
4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046617
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182823
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482906
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline
CID 54985228
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
2-[(5-aminothiadiazol-4-yl)methyl-(2-methylpropyl)amino]acetamide
CID 62182662
3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 63331103
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
N-[(5-hydrazinylpyrazin-2-yl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103060605
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 113246452

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine (CID 62209784) is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine is COCCCN(CCOC)Cc1nnsc1N.
What is the InChIKey of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is ABHPKQULNZQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-15-6-3-4-14(5-7-16-2)8-9-10(11)17-13-12-9/h3-8,11H2,1-2H3.
What are the key properties of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine?
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 260.36 g/mol, XLogP of 0.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62209784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).