2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile

C7H8N2OS — CID 82424557

IUPAC2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCOCc1ncc(CC#N)s1
InChIInChI=1S/C7H8N2OS/c1-10-5-7-9-4-6(11-7)2-3-8/h4H,2,5H2,1H3
InChIKeyALBSXHAZVJMCMT-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.36
Rot. Bonds3

About 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile

2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82424557) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82424557
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCOCc1ncc(CC#N)s1
InChIInChI=1S/C7H8N2OS/c1-10-5-7-9-4-6(11-7)2-3-8/h4H,2,5H2,1H3
InChIKeyALBSXHAZVJMCMT-UHFFFAOYSA-N
XLogP1.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(Propan-2-yl)-1,3-thiazol-2-yl]methanol
CID 45096028
5-Ethyl-2-methoxythiazole
CID 12743062
(5-Ethyl-1,3-thiazol-2-yl)methanol
CID 62924313
2-(Methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82424549
[5-(1-Fluoroethyl)-1,3-thiazol-2-yl]methanol
CID 166089803
5-Ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 103477037
5-Ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 103477038
5-Propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazole
CID 103477039
5-Propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
CID 113820096
2-(Methoxymethyl)-5-methyl-1,3-thiazole
CID 21802812
5-Ethenyl-2-(methoxymethyl)-1,3-thiazole
CID 54149709
2-(2-Methyl-1,3-thiazol-5-yl)acetonitrile
CID 54593014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (CID 82424557) is 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is COCc1ncc(CC#N)s1.
What is the InChIKey of 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is ALBSXHAZVJMCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-10-5-7-9-4-6(11-7)2-3-8/h4H,2,5H2,1H3.
What are the key properties of 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 168.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82424557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).