(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide

C13H21N3O2S — CID 97097729

IUPAC(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCCc2csc(C)n2)CCO1
InChIInChI=1S/C13H21N3O2S/c1-3-12-8-16(6-7-18-12)13(17)14-5-4-11-9-19-10(2)15-11/h9,12H,3-8H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyWNDNNLQEASJAKN-GFCCVEGCSA-N
MW283.40 g/mol
LogP1.81
Rot. Bonds4

About (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide

(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide (PubChem CID 97097729) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
PubChem CID97097729
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCCc2csc(C)n2)CCO1
InChIInChI=1S/C13H21N3O2S/c1-3-12-8-16(6-7-18-12)13(17)14-5-4-11-9-19-10(2)15-11/h9,12H,3-8H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyWNDNNLQEASJAKN-GFCCVEGCSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934549
N-(2-aminoethyl)-2-ethylmorpholine-4-carboxamide
CID 82506232
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 94052563
2-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoyl]morpholin-2-yl]acetic acid
CID 120527590
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933198
1-[2-(hydroxymethyl)morpholin-4-yl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanone
CID 81208290
(2S)-N-[(5-bromothiophen-3-yl)methyl]-2-ethylmorpholine-4-carboxamide
CID 97097732
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71915673
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111369061
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide (CID 97097729) is (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide is CC[C@@H]1CN(C(=O)NCCc2csc(C)n2)CCO1.
What is the InChIKey of (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is WNDNNLQEASJAKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-12-8-16(6-7-18-12)13(17)14-5-4-11-9-19-10(2)15-11/h9,12H,3-8H2,1-2H3,(H,14,17)/t12-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 97097729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).