N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine

C13H23N3OS — CID 79663346

IUPACN-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2CN(C(C)C)CCO2)n1
InChIInChI=1S/C13H23N3OS/c1-4-14-7-11-9-18-13(15-11)12-8-16(10(2)3)5-6-17-12/h9-10,12,14H,4-8H2,1-3H3
InChIKeyQWOCLOWHJGJZGT-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.03
Rot. Bonds5

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

N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 79663346) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID79663346
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(C2CN(C(C)C)CCO2)n1
InChIInChI=1S/C13H23N3OS/c1-4-14-7-11-9-18-13(15-11)12-8-16(10(2)3)5-6-17-12/h9-10,12,14H,4-8H2,1-3H3
InChIKeyQWOCLOWHJGJZGT-UHFFFAOYSA-N
XLogP2.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 79663346) is N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(C2CN(C(C)C)CCO2)n1.
What is the InChIKey of N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is QWOCLOWHJGJZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-14-7-11-9-18-13(15-11)12-8-16(10(2)3)5-6-17-12/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79663346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).