3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

C13H22N2OS — CID 64514523

IUPAC3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCCC1CCC(NCCOC)(c2nccs2)C1
InChIInChI=1S/C13H22N2OS/c1-3-11-4-5-13(10-11,15-6-8-16-2)12-14-7-9-17-12/h7,9,11,15H,3-6,8,10H2,1-2H3
InChIKeyUUZOIALOXZPZKA-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.78
Rot. Bonds6

About 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 64514523) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID64514523
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESCCC1CCC(NCCOC)(c2nccs2)C1
InChIInChI=1S/C13H22N2OS/c1-3-11-4-5-13(10-11,15-6-8-16-2)12-14-7-9-17-12/h7,9,11,15H,3-6,8,10H2,1-2H3
InChIKeyUUZOIALOXZPZKA-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (CID 64514523) is 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is CCC1CCC(NCCOC)(c2nccs2)C1.
What is the InChIKey of 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is UUZOIALOXZPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-4-5-13(10-11,15-6-8-16-2)12-14-7-9-17-12/h7,9,11,15H,3-6,8,10H2,1-2H3.
What are the key properties of 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methoxyethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 64514523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).