4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine

C12H24N4O2S — CID 55046617

IUPAC4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CCOC)CCOC
InChIInChI=1S/C12H24N4O2S/c1-4-5-13-12-11(14-15-19-12)10-16(6-8-17-2)7-9-18-3/h13H,4-10H2,1-3H3
InChIKeyGYEBORSBVGHXLR-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.45
Rot. Bonds11

About 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046617) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046617
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CCOC)CCOC
InChIInChI=1S/C12H24N4O2S/c1-4-5-13-12-11(14-15-19-12)10-16(6-8-17-2)7-9-18-3/h13H,4-10H2,1-3H3
InChIKeyGYEBORSBVGHXLR-UHFFFAOYSA-N
XLogP1.45
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046617) is 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CCOC)CCOC.
What is the InChIKey of 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is GYEBORSBVGHXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-4-5-13-12-11(14-15-19-12)10-16(6-8-17-2)7-9-18-3/h13H,4-10H2,1-3H3.
What are the key properties of 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 288.42 g/mol, XLogP of 1.45, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).