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

C13H23N3OS — CID 79669267

IUPACN-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(C2CN(CC)CCO2)n1
InChIInChI=1S/C13H23N3OS/c1-3-5-14-8-11-10-18-13(15-11)12-9-16(4-2)6-7-17-12/h10,12,14H,3-9H2,1-2H3
InChIKeyLHVNVRRIFJYUDC-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.04
Rot. Bonds6

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

N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 79669267) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID79669267
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(C2CN(CC)CCO2)n1
InChIInChI=1S/C13H23N3OS/c1-3-5-14-8-11-10-18-13(15-11)12-9-16(4-2)6-7-17-12/h10,12,14H,3-9H2,1-2H3
InChIKeyLHVNVRRIFJYUDC-UHFFFAOYSA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.04
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-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 79669267) is N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(C2CN(CC)CCO2)n1.
What is the InChIKey of N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is LHVNVRRIFJYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-5-14-8-11-10-18-13(15-11)12-9-16(4-2)6-7-17-12/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79669267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).