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
SMILESCCNCC1=CSC(=N1)N2CCOC(C2)C#N
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
LogP0.60
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
SMILESCCNCC1=CSC(=N1)N2CCOC(C2)C#N
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
XLogP0.60
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity292

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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 CCNCC1=CSC(=N1)N2CCOC(C2)C#N.
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 0.60, 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).