4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile

C9H9ClN2O2S — CID 130580629

IUPAC4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OCC2CCCO2)nc1Cl
InChIInChI=1S/C9H9ClN2O2S/c10-8-7(4-11)15-9(12-8)14-5-6-2-1-3-13-6/h6H,1-3,5H2
InChIKeyMYXVDOYBIRKGLC-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.23
Rot. Bonds3

About 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile

4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile (PubChem CID 130580629) has the molecular formula C9H9ClN2O2S and a molecular weight of 244.70 g/mol. Its IUPAC name is 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile
PubChem CID130580629
Molecular FormulaC9H9ClN2O2S
Molecular Weight244.70 g/mol
Exact Mass244.01
IUPAC Name4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(OCC2CCCO2)nc1Cl
InChIInChI=1S/C9H9ClN2O2S/c10-8-7(4-11)15-9(12-8)14-5-6-2-1-3-13-6/h6H,1-3,5H2
InChIKeyMYXVDOYBIRKGLC-UHFFFAOYSA-N
XLogP2.23
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile (CID 130580629) is 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile is N#Cc1sc(OCC2CCCO2)nc1Cl.
What is the InChIKey of 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile?
The InChIKey is MYXVDOYBIRKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S/c10-8-7(4-11)15-9(12-8)14-5-6-2-1-3-13-6/h6H,1-3,5H2.
What are the key properties of 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile has a molecular weight of 244.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxolan-2-ylmethoxy)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 130580629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).