2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine

C14H24N2OS — CID 112570185

IUPAC2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOCCNCC(Cc1nccs1)C1CCCC1
InChIInChI=1S/C14H24N2OS/c1-17-8-6-15-11-13(12-4-2-3-5-12)10-14-16-7-9-18-14/h7,9,12-13,15H,2-6,8,10-11H2,1H3
InChIKeyVUXMOEHSQQSJMV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.73
Rot. Bonds8

About 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine

2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 112570185) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID112570185
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOCCNCC(Cc1nccs1)C1CCCC1
InChIInChI=1S/C14H24N2OS/c1-17-8-6-15-11-13(12-4-2-3-5-12)10-14-16-7-9-18-14/h7,9,12-13,15H,2-6,8,10-11H2,1H3
InChIKeyVUXMOEHSQQSJMV-UHFFFAOYSA-N
XLogP2.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.73
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 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine (CID 112570185) is 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine is COCCNCC(Cc1nccs1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is VUXMOEHSQQSJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-17-8-6-15-11-13(12-4-2-3-5-12)10-14-16-7-9-18-14/h7,9,12-13,15H,2-6,8,10-11H2,1H3.
What are the key properties of 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 112570185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).