1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C13H23N3OS — CID 62751302

IUPAC1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCC1CN(c2nc(C)c(C(C)NC)s2)CCO1
InChIInChI=1S/C13H23N3OS/c1-5-11-8-16(6-7-17-11)13-15-10(3)12(18-13)9(2)14-4/h9,11,14H,5-8H2,1-4H3
InChIKeyTZSUBHKRERWLOU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.35
Rot. Bonds4

About 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 62751302) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID62751302
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCCC1CN(c2nc(C)c(C(C)NC)s2)CCO1
InChIInChI=1S/C13H23N3OS/c1-5-11-8-16(6-7-17-11)13-15-10(3)12(18-13)9(2)14-4/h9,11,14H,5-8H2,1-4H3
InChIKeyTZSUBHKRERWLOU-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

((4-Methyl-2-(morpholin-4-yl)-1,3-thiazol-5-yl)methyl)((4-methylmorpholin-2-yl)methyl)amine
CID 53551652
1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 95159202
(R)-2-[4-Methyl-2-[2-(trifluoromethyl)morpholino]thiazol-5-yl]ethan-1-amine Hydrochloride
CID 171505792
4-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)morpholine
CID 122132950
5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767143
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767678
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768696
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 65530578
5-[(2-methoxyethylamino)methyl]-N-methyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79380505
N-[[2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 116277084
N-[[2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116277250
N-[[2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116277376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 62751302) is 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CCC1CN(c2nc(C)c(C(C)NC)s2)CCO1.
What is the InChIKey of 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is TZSUBHKRERWLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-11-8-16(6-7-17-11)13-15-10(3)12(18-13)9(2)14-4/h9,11,14H,5-8H2,1-4H3.
What are the key properties of 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 62751302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).