3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile

C11H17N3OS — CID 63286373

IUPAC3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCc1csc(N(CCC#N)CCOC)n1
InChIInChI=1S/C11H17N3OS/c1-3-10-9-16-11(13-10)14(6-4-5-12)7-8-15-2/h9H,3-4,6-8H2,1-2H3
InChIKeyHWHYAHNUDDFNKT-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.07
Rot. Bonds7

About 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63286373) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID63286373
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCc1csc(N(CCC#N)CCOC)n1
InChIInChI=1S/C11H17N3OS/c1-3-10-9-16-11(13-10)14(6-4-5-12)7-8-15-2/h9H,3-4,6-8H2,1-2H3
InChIKeyHWHYAHNUDDFNKT-UHFFFAOYSA-N
XLogP2.07
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile
CID 62961171
3-[2-[2-cyanoethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487617
methyl 2-[2-[2-cyanoethyl(2-methylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575232
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
1-[2-[bis(2-methoxyethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64543850
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80984282
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methoxyethyl)amino]propanenitrile
CID 65272048
3-[(6-chloro-2-ethylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80936629
3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286441
3-[(2-chloro-6-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286901
3-[2-methoxyethyl(pyridin-4-yl)amino]propanenitrile
CID 55218453
ethyl 2-[2-[2-cyanoethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575673

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile (CID 63286373) is 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile is CCc1csc(N(CCC#N)CCOC)n1.
What is the InChIKey of 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is HWHYAHNUDDFNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-10-9-16-11(13-10)14(6-4-5-12)7-8-15-2/h9H,3-4,6-8H2,1-2H3.
What are the key properties of 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 239.34 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63286373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).