4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile

C11H16N4OS — CID 79681623

IUPAC4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
SMILESCCNCc1csc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C11H16N4OS/c1-2-13-6-9-8-17-11(14-9)15-3-4-16-10(5-12)7-15/h8,10,13H,2-4,6-7H2,1H3
InChIKeyJIIFYQOLVKGXHK-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.98
Rot. Bonds4

About 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile

4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile (PubChem CID 79681623) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
PubChem CID79681623
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
SMILESCCNCc1csc(N2CCOC(C#N)C2)n1
InChIInChI=1S/C11H16N4OS/c1-2-13-6-9-8-17-11(14-9)15-3-4-16-10(5-12)7-15/h8,10,13H,2-4,6-7H2,1H3
InChIKeyJIIFYQOLVKGXHK-UHFFFAOYSA-N
XLogP0.98
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(propylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79680633
4-[4-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]morpholine-2-carbonitrile
CID 79681534
methyl 2-[2-(2-cyanomorpholin-4-yl)-1,3-thiazol-4-yl]acetate
CID 80576545
2-(2-cyanomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 80572410
2-(2-cyanomorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424826
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79663346
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
CID 112734300
4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile
CID 80849516
methyl 2-[2-[2-(hydroxymethyl)morpholin-4-yl]-1,3-thiazol-4-yl]acetate
CID 81217436
4-[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]morpholine-2-carbonitrile
CID 80849282
4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile
CID 79674361
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 104961341

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile (CID 79681623) is 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile is CCNCc1csc(N2CCOC(C#N)C2)n1.
What is the InChIKey of 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
The InChIKey is JIIFYQOLVKGXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-13-6-9-8-17-11(14-9)15-3-4-16-10(5-12)7-15/h8,10,13H,2-4,6-7H2,1H3.
What are the key properties of 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile?
4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile has a molecular weight of 252.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]morpholine-2-carbonitrile is sourced from PubChem (CID 79681623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).