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

C9H11N3OS — CID 67532635

IUPAC2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(c1nccs1)N1CCOCC1
InChIInChI=1S/C9H11N3OS/c10-7-8(9-11-1-6-14-9)12-2-4-13-5-3-12/h1,6,8H,2-5H2
InChIKeyNSVDMLBXFGFMSR-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.04
Rot. Bonds2

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

2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile (PubChem CID 67532635) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile
PubChem CID67532635
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(c1nccs1)N1CCOCC1
InChIInChI=1S/C9H11N3OS/c10-7-8(9-11-1-6-14-9)12-2-4-13-5-3-12/h1,6,8H,2-5H2
InChIKeyNSVDMLBXFGFMSR-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile (CID 67532635) is 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile is N#CC(c1nccs1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile?
The InChIKey is NSVDMLBXFGFMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c10-7-8(9-11-1-6-14-9)12-2-4-13-5-3-12/h1,6,8H,2-5H2.
What are the key properties of 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile?
2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile has a molecular weight of 209.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-(1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 67532635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).