2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile

C8H11N3S — CID 82424871

IUPAC2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCN(C)CCc1ncc(C#N)s1
InChIInChI=1S/C8H11N3S/c1-11(2)4-3-8-10-6-7(5-9)12-8/h6H,3-4H2,1-2H3
InChIKeyGWRRRBWEEFXWII-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.12
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile

2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82424871) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile
PubChem CID82424871
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile
SMILESCN(C)CCc1ncc(C#N)s1
InChIInChI=1S/C8H11N3S/c1-11(2)4-3-8-10-6-7(5-9)12-8/h6H,3-4H2,1-2H3
InChIKeyGWRRRBWEEFXWII-UHFFFAOYSA-N
XLogP1.12
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile (CID 82424871) is 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile is CN(C)CCc1ncc(C#N)s1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is GWRRRBWEEFXWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-11(2)4-3-8-10-6-7(5-9)12-8/h6H,3-4H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile?
2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 181.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82424871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).