N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine

C13H23N3OS — CID 79089058

IUPACN-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(C2CN(C)CCO2)nc1C
InChIInChI=1S/C13H23N3OS/c1-5-14-9(2)12-10(3)15-13(18-12)11-8-16(4)6-7-17-11/h9,11,14H,5-8H2,1-4H3
InChIKeyVEIGEHNJENXWKP-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.13
Rot. Bonds4

About N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79089058) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79089058
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(C2CN(C)CCO2)nc1C
InChIInChI=1S/C13H23N3OS/c1-5-14-9(2)12-10(3)15-13(18-12)11-8-16(4)6-7-17-11/h9,11,14H,5-8H2,1-4H3
InChIKeyVEIGEHNJENXWKP-UHFFFAOYSA-N
XLogP2.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 79089058) is N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(C2CN(C)CCO2)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is VEIGEHNJENXWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-14-9(2)12-10(3)15-13(18-12)11-8-16(4)6-7-17-11/h9,11,14H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79089058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).