2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile

C7H8N2O2S — CID 103375863

IUPAC2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(OCCO)c1nccs1
InChIInChI=1S/C7H8N2O2S/c8-5-6(11-3-2-10)7-9-1-4-12-7/h1,4,6,10H,2-3H2
InChIKeyADRPGBJIHQGKRO-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile

2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile (PubChem CID 103375863) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile
PubChem CID103375863
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile
SMILESN#CC(OCCO)c1nccs1
InChIInChI=1S/C7H8N2O2S/c8-5-6(11-3-2-10)7-9-1-4-12-7/h1,4,6,10H,2-3H2
InChIKeyADRPGBJIHQGKRO-UHFFFAOYSA-N
XLogP0.72
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile (CID 103375863) is 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile is N#CC(OCCO)c1nccs1.
What is the InChIKey of 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile?
The InChIKey is ADRPGBJIHQGKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c8-5-6(11-3-2-10)7-9-1-4-12-7/h1,4,6,10H,2-3H2.
What are the key properties of 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile?
2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile has a molecular weight of 184.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 103375863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).