2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile

C9H11N3OS — CID 82425386

IUPAC2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile
SMILESN#CCc1cnc(N2CCOCC2)s1
InChIInChI=1S/C9H11N3OS/c10-2-1-8-7-11-9(14-8)12-3-5-13-6-4-12/h7H,1,3-6H2
InChIKeyZFYWEFOOPHLBJX-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.05
Rot. Bonds2

About 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile

2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 82425386) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile
PubChem CID82425386
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile
SMILESN#CCc1cnc(N2CCOCC2)s1
InChIInChI=1S/C9H11N3OS/c10-2-1-8-7-11-9(14-8)12-3-5-13-6-4-12/h7H,1,3-6H2
InChIKeyZFYWEFOOPHLBJX-UHFFFAOYSA-N
XLogP1.05
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile (CID 82425386) is 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile is N#CCc1cnc(N2CCOCC2)s1.
What is the InChIKey of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is ZFYWEFOOPHLBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c10-2-1-8-7-11-9(14-8)12-3-5-13-6-4-12/h7H,1,3-6H2.
What are the key properties of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 209.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82425386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).