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

C13H12N2O2S — CID 17422793

IUPAC2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile
SMILESCc1csc(=O)n1CCOc1ccccc1C#N
InChIInChI=1S/C13H12N2O2S/c1-10-9-18-13(16)15(10)6-7-17-12-5-3-2-4-11(12)8-14/h2-5,9H,6-7H2,1H3
InChIKeyVHZFYUNLNBTLTI-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.17
Rot. Bonds4

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

2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile (PubChem CID 17422793) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile
PubChem CID17422793
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile
SMILESCc1csc(=O)n1CCOc1ccccc1C#N
InChIInChI=1S/C13H12N2O2S/c1-10-9-18-13(16)15(10)6-7-17-12-5-3-2-4-11(12)8-14/h2-5,9H,6-7H2,1H3
InChIKeyVHZFYUNLNBTLTI-UHFFFAOYSA-N
XLogP2.17
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propoxy]benzonitrile
CID 43289266
2-[2-(3-ethyl-2,6-dioxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63800667
2-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 79369825
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 99831528
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 55490587
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]benzonitrile
CID 61230235
2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]benzonitrile
CID 61238278
2-[3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propoxy]benzonitrile
CID 104511822
2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
CID 43289161
2-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)ethoxy]benzonitrile
CID 114513535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile (CID 17422793) is 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile is Cc1csc(=O)n1CCOc1ccccc1C#N.
What is the InChIKey of 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile?
The InChIKey is VHZFYUNLNBTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-10-9-18-13(16)15(10)6-7-17-12-5-3-2-4-11(12)8-14/h2-5,9H,6-7H2,1H3.
What are the key properties of 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile?
2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile has a molecular weight of 260.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile is sourced from PubChem (CID 17422793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).