2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile

C11H14N2OS — CID 82429602

IUPAC2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(C2CCCO2)sc1CC#N
InChIInChI=1S/C11H14N2OS/c1-2-8-10(5-6-12)15-11(13-8)9-4-3-7-14-9/h9H,2-5,7H2,1H3
InChIKeyXMYBDZIQPYKCND-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.62
Rot. Bonds3

About 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile

2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82429602) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82429602
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(C2CCCO2)sc1CC#N
InChIInChI=1S/C11H14N2OS/c1-2-8-10(5-6-12)15-11(13-8)9-4-3-7-14-9/h9H,2-5,7H2,1H3
InChIKeyXMYBDZIQPYKCND-UHFFFAOYSA-N
XLogP2.62
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 82429608
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429607
N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole
CID 82439049
2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile
CID 82430941
[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434676
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440933
N-[[4-ethyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841682
N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82437005
N-[[4-ethyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841266

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile (CID 82429602) is 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile is CCc1nc(C2CCCO2)sc1CC#N.
What is the InChIKey of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is XMYBDZIQPYKCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-8-10(5-6-12)15-11(13-8)9-4-3-7-14-9/h9H,2-5,7H2,1H3.
What are the key properties of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile?
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 222.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82429602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).