2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile

C14H22N2OS — CID 106710371

IUPAC2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
SMILESCc1ncsc1CCOCCCCC(C)(C)C#N
InChIInChI=1S/C14H22N2OS/c1-12-13(18-11-16-12)6-9-17-8-5-4-7-14(2,3)10-15/h11H,4-9H2,1-3H3
InChIKeyDXCUOFXTASRSDO-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.73
Rot. Bonds8

About 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile

2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile (PubChem CID 106710371) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
PubChem CID106710371
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
SMILESCc1ncsc1CCOCCCCC(C)(C)C#N
InChIInChI=1S/C14H22N2OS/c1-12-13(18-11-16-12)6-9-17-8-5-4-7-14(2,3)10-15/h11H,4-9H2,1-3H3
InChIKeyDXCUOFXTASRSDO-UHFFFAOYSA-N
XLogP3.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-5-(2-heptyloxyethyl)-1,3-thiazole
CID 127026366
4-Methyl-5-(2-decyloxyethyl)-1,3-thiazole
CID 127036769
4-Methyl-5-(2-undecoxyethyl)-1,3-thiazole
CID 127026367
4-Methyl-5-(2-octadecoxyethyl)-1,3-thiazole
CID 127026368
5-(2-Heptoxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium iodide
CID 127026369
3,3,3-Trifluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]propanenitrile
CID 113807751
5-(2-Heptoxyethyl)-3,4-dimethyl-1,3-thiazol-3-ium
CID 127026370
5-(2-Methoxyethyl)-4-methylthiazole
CID 11159460
5-(2-Ethoxyethyl)-4-methylthiazole
CID 11263762
5-(2-Hexoxyethyl)-4-methyl-1,3-thiazole
CID 17957312
5-(2-Butoxyethyl)-4-methyl-1,3-thiazole
CID 23405165
5-(2,2-Dimethylpropyl)-4-(2-methoxyethyl)-1,3-thiazole
CID 58157917

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile (CID 106710371) is 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile is Cc1ncsc1CCOCCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile?
The InChIKey is DXCUOFXTASRSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-12-13(18-11-16-12)6-9-17-8-5-4-7-14(2,3)10-15/h11H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile?
2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile has a molecular weight of 266.41 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile is sourced from PubChem (CID 106710371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).