5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile

C15H16N4O2S — CID 133485968

IUPAC5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCOCC2CC(O)c2cccs2)cn1
InChIInChI=1S/C15H16N4O2S/c16-7-11-8-18-15(9-17-11)19-3-4-21-10-12(19)6-13(20)14-2-1-5-22-14/h1-2,5,8-9,12-13,20H,3-4,6,10H2
InChIKeyDAEHCYNLCRGWQM-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.74
Rot. Bonds4

About 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile

5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile (PubChem CID 133485968) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile
PubChem CID133485968
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCOCC2CC(O)c2cccs2)cn1
InChIInChI=1S/C15H16N4O2S/c16-7-11-8-18-15(9-17-11)19-3-4-21-10-12(19)6-13(20)14-2-1-5-22-14/h1-2,5,8-9,12-13,20H,3-4,6,10H2
InChIKeyDAEHCYNLCRGWQM-UHFFFAOYSA-N
XLogP1.74
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-6-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 133347824
2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347736
1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
CID 133419303
6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418922
2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347782
2-[4-(1,3-benzothiazol-2-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347732
2-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976076
2-[4-(3-bromo-5-nitro-2-pyridinyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347831
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 124734755
2-[4-(2-ethylsulfanylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976091
2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976087
(1R)-2-[(3S)-4-[(2-nitrophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 129471112

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile (CID 133485968) is 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCOCC2CC(O)c2cccs2)cn1.
What is the InChIKey of 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile?
The InChIKey is DAEHCYNLCRGWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-7-11-8-18-15(9-17-11)19-3-4-21-10-12(19)6-13(20)14-2-1-5-22-14/h1-2,5,8-9,12-13,20H,3-4,6,10H2.
What are the key properties of 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile?
5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile has a molecular weight of 316.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).