2-(methoxymethyl)-1,3-thiazole-5-carbonitrile

C6H6N2OS — CID 82424549

IUPAC2-(methoxymethyl)-1,3-thiazole-5-carbonitrile
SMILESCOCc1ncc(C#N)s1
InChIInChI=1S/C6H6N2OS/c1-9-4-6-8-3-5(2-7)10-6/h3H,4H2,1H3
InChIKeyZNXKAMIYOJYAKD-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.16
Rot. Bonds2

About 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile

2-(methoxymethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82424549) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-1,3-thiazole-5-carbonitrile
PubChem CID82424549
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-(methoxymethyl)-1,3-thiazole-5-carbonitrile
SMILESCOCc1ncc(C#N)s1
InChIInChI=1S/C6H6N2OS/c1-9-4-6-8-3-5(2-7)10-6/h3H,4H2,1H3
InChIKeyZNXKAMIYOJYAKD-UHFFFAOYSA-N
XLogP1.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile (CID 82424549) is 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile is COCc1ncc(C#N)s1.
What is the InChIKey of 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is ZNXKAMIYOJYAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-9-4-6-8-3-5(2-7)10-6/h3H,4H2,1H3.
What are the key properties of 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile?
2-(methoxymethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 154.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82424549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).