N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine

C14H25N3OS — CID 134590618

IUPACN-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCNCc1csc(N2CCOC(CC)C2)n1
InChIInChI=1S/C14H25N3OS/c1-3-5-6-15-9-12-11-19-14(16-12)17-7-8-18-13(4-2)10-17/h11,13,15H,3-10H2,1-2H3
InChIKeyCYLZFDSEJYVIMC-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.65
Rot. Bonds7

About N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine

N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine (PubChem CID 134590618) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
PubChem CID134590618
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCNCc1csc(N2CCOC(CC)C2)n1
InChIInChI=1S/C14H25N3OS/c1-3-5-6-15-9-12-11-19-14(16-12)17-7-8-18-13(4-2)10-17/h11,13,15H,3-10H2,1-2H3
InChIKeyCYLZFDSEJYVIMC-UHFFFAOYSA-N
XLogP2.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine (CID 134590618) is N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine is CCCCNCc1csc(N2CCOC(CC)C2)n1.
What is the InChIKey of N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The InChIKey is CYLZFDSEJYVIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-5-6-15-9-12-11-19-14(16-12)17-7-8-18-13(4-2)10-17/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 134590618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).