1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine

C11H18N2OS — CID 46784926

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2OS/c1-8(12-6-7-14-2)11-13-9-4-3-5-10(9)15-11/h8,12H,3-7H2,1-2H3
InChIKeyFDWUDIXCGBTUPW-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.93
Rot. Bonds5

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 46784926) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID46784926
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2OS/c1-8(12-6-7-14-2)11-13-9-4-3-5-10(9)15-11/h8,12H,3-7H2,1-2H3
InChIKeyFDWUDIXCGBTUPW-UHFFFAOYSA-N
XLogP1.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.93
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 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine (CID 46784926) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is FDWUDIXCGBTUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(12-6-7-14-2)11-13-9-4-3-5-10(9)15-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 226.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 46784926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).