4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine

C12H23N3O2S — CID 65482906

IUPAC4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCOCCCN(CCOC)CCc1csc(N)n1
InChIInChI=1S/C12H23N3O2S/c1-16-8-3-5-15(7-9-17-2)6-4-11-10-18-12(13)14-11/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyQMKGEBZBNGKCER-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.25
Rot. Bonds10

About 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65482906) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65482906
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCOCCCN(CCOC)CCc1csc(N)n1
InChIInChI=1S/C12H23N3O2S/c1-16-8-3-5-15(7-9-17-2)6-4-11-10-18-12(13)14-11/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyQMKGEBZBNGKCER-UHFFFAOYSA-N
XLogP1.25
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine (CID 65482906) is 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine is COCCCN(CCOC)CCc1csc(N)n1.
What is the InChIKey of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is QMKGEBZBNGKCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-16-8-3-5-15(7-9-17-2)6-4-11-10-18-12(13)14-11/h10H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 1.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65482906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).