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

C13H19N5OS — CID 129335905

IUPAC(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(CN2CCO[C@@H](c3nncn3C)C2)cs1
InChIInChI=1S/C13H19N5OS/c1-3-12-15-10(8-20-12)6-18-4-5-19-11(7-18)13-16-14-9-17(13)2/h8-9,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyJJWMXYCFSQHBPO-LLVKDONJSA-N
MW293.40 g/mol
LogP1.41
Rot. Bonds4

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

(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129335905) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129335905
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc(CN2CCO[C@@H](c3nncn3C)C2)cs1
InChIInChI=1S/C13H19N5OS/c1-3-12-15-10(8-20-12)6-18-4-5-19-11(7-18)13-16-14-9-17(13)2/h8-9,11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyJJWMXYCFSQHBPO-LLVKDONJSA-N
XLogP1.41
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine with MolForge

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Related Compounds

(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129342067
(2R)-4-[(5-ethylfuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129336988
(2S)-2-(4-methyl-1,2,4-triazol-3-yl)-4-(quinolin-2-ylmethyl)morpholine
CID 129341152
4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128991953
(2R)-4-(3-methylbut-2-enyl)-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129331001
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
(2S)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129338250
2-ethyl-4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95338960
(2S)-4-[2-[(3R,5R)-3,5-dimethylcyclohexyl]ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129332459
(2S)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342775
4-[(2,3-dimethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 128996806
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129335905) is (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is CCc1nc(CN2CCO[C@@H](c3nncn3C)C2)cs1.
What is the InChIKey of (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is JJWMXYCFSQHBPO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-12-15-10(8-20-12)6-18-4-5-19-11(7-18)13-16-14-9-17(13)2/h8-9,11H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine?
(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 293.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129335905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).