2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile

C8H10N2OS — CID 82668899

IUPAC2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
SMILESCc1nc(CC#N)sc1CCO
InChIInChI=1S/C8H10N2OS/c1-6-7(3-5-11)12-8(10-6)2-4-9/h11H,2-3,5H2,1H3
InChIKeyDWGCFHDQMZZOHK-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.05
Rot. Bonds3

About 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile

2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile (PubChem CID 82668899) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
PubChem CID82668899
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
SMILESCc1nc(CC#N)sc1CCO
InChIInChI=1S/C8H10N2OS/c1-6-7(3-5-11)12-8(10-6)2-4-9/h11H,2-3,5H2,1H3
InChIKeyDWGCFHDQMZZOHK-UHFFFAOYSA-N
XLogP1.05
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]acetonitrile
CID 82426538
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
CID 83292082
2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427622
2-[2-(hydroxyamino)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 143129524
1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 161084330
2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82425732
[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 83679321
5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole
CID 66641574
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
2-[2-[(2-fluorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426152
2-[2-[(2-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82426179
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile (CID 82668899) is 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile is Cc1nc(CC#N)sc1CCO.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is DWGCFHDQMZZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-7(3-5-11)12-8(10-6)2-4-9/h11H,2-3,5H2,1H3.
What are the key properties of 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile?
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 182.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 82668899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).