2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile

C8H10N2OS — CID 130848602

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile
SMILESCOC(C#N)c1sc(C)nc1C
InChIInChI=1S/C8H10N2OS/c1-5-8(7(4-9)11-3)12-6(2)10-5/h7H,1-3H3
InChIKeyYTBVMYQLLUATMI-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.97
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile

2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile (PubChem CID 130848602) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile
PubChem CID130848602
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile
SMILESCOC(C#N)c1sc(C)nc1C
InChIInChI=1S/C8H10N2OS/c1-5-8(7(4-9)11-3)12-6(2)10-5/h7H,1-3H3
InChIKeyYTBVMYQLLUATMI-UHFFFAOYSA-N
XLogP1.97
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)butanenitrile
CID 116887293
1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol
CID 130175703
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
CID 66070706
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
CID 82630324
methyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methylbutanoate
CID 116887286
5-[1-bromo-2-(4-methoxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 114034096
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentanenitrile
CID 61192885
2-cyano-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 61074520
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxybenzonitrile
CID 106787199
2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887192

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile (CID 130848602) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile is COC(C#N)c1sc(C)nc1C.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile?
The InChIKey is YTBVMYQLLUATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-8(7(4-9)11-3)12-6(2)10-5/h7H,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile has a molecular weight of 182.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile is sourced from PubChem (CID 130848602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).