5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile

C13H20N4OS — CID 119115319

IUPAC5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile
SMILESN#CCCCCNCc1cnc(N2CCOCC2)s1
InChIInChI=1S/C13H20N4OS/c14-4-2-1-3-5-15-10-12-11-16-13(19-12)17-6-8-18-9-7-17/h11,15H,1-3,5-10H2
InChIKeyQJGYBNHBQRGQKZ-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.76
Rot. Bonds7

About 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile

5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile (PubChem CID 119115319) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile
PubChem CID119115319
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile
SMILESN#CCCCCNCc1cnc(N2CCOCC2)s1
InChIInChI=1S/C13H20N4OS/c14-4-2-1-3-5-15-10-12-11-16-13(19-12)17-6-8-18-9-7-17/h11,15H,1-3,5-10H2
InChIKeyQJGYBNHBQRGQKZ-UHFFFAOYSA-N
XLogP1.76
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile?
The IUPAC name of 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile (CID 119115319) is 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile.
What is the SMILES notation for 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile?
The canonical SMILES for 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile is N#CCCCCNCc1cnc(N2CCOCC2)s1.
What is the InChIKey of 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile?
The InChIKey is QJGYBNHBQRGQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-4-2-1-3-5-15-10-12-11-16-13(19-12)17-6-8-18-9-7-17/h11,15H,1-3,5-10H2.
What are the key properties of 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile?
5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile has a molecular weight of 280.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]pentanenitrile is sourced from PubChem (CID 119115319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).