2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile

C7H8N2OS — CID 126983495

IUPAC2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCOC(C#N)c1cnc(C)s1
InChIInChI=1S/C7H8N2OS/c1-5-9-4-7(11-5)6(3-8)10-2/h4,6H,1-2H3
InChIKeyIDTHDZWINGMZKH-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.66
Rot. Bonds2

About 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile

2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 126983495) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
PubChem CID126983495
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCOC(C#N)c1cnc(C)s1
InChIInChI=1S/C7H8N2OS/c1-5-9-4-7(11-5)6(3-8)10-2/h4,6H,1-2H3
InChIKeyIDTHDZWINGMZKH-UHFFFAOYSA-N
XLogP1.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile (CID 126983495) is 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile is COC(C#N)c1cnc(C)s1.
What is the InChIKey of 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is IDTHDZWINGMZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-9-4-7(11-5)6(3-8)10-2/h4,6H,1-2H3.
What are the key properties of 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 168.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 126983495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).