2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile

C14H14N2O2S — CID 43243797

IUPAC2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile
SMILESCc1csc(=O)n1CCOc1ccc(CC#N)cc1
InChIInChI=1S/C14H14N2O2S/c1-11-10-19-14(17)16(11)8-9-18-13-4-2-12(3-5-13)6-7-15/h2-5,10H,6,8-9H2,1H3
InChIKeyIXCADVHMGCSLPI-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile

2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile (PubChem CID 43243797) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile
PubChem CID43243797
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile
SMILESCc1csc(=O)n1CCOc1ccc(CC#N)cc1
InChIInChI=1S/C14H14N2O2S/c1-11-10-19-14(17)16(11)8-9-18-13-4-2-12(3-5-13)6-7-15/h2-5,10H,6,8-9H2,1H3
InChIKeyIXCADVHMGCSLPI-UHFFFAOYSA-N
XLogP2.36
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile (CID 43243797) is 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile is Cc1csc(=O)n1CCOc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile?
The InChIKey is IXCADVHMGCSLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-11-10-19-14(17)16(11)8-9-18-13-4-2-12(3-5-13)6-7-15/h2-5,10H,6,8-9H2,1H3.
What are the key properties of 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile?
2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile has a molecular weight of 274.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 43243797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).