4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile

C10H5ClFN3OS — CID 78952688

IUPAC4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2nnsc2Cl)cc1F
InChIInChI=1S/C10H5ClFN3OS/c11-10-9(14-15-17-10)5-16-7-2-1-6(4-13)8(12)3-7/h1-3H,5H2
InChIKeyRZLXWKZJCFWDPU-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.78
Rot. Bonds3

About 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile

4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile (PubChem CID 78952688) has the molecular formula C10H5ClFN3OS and a molecular weight of 269.69 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile
PubChem CID78952688
Molecular FormulaC10H5ClFN3OS
Molecular Weight269.69 g/mol
Exact Mass268.98
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2nnsc2Cl)cc1F
InChIInChI=1S/C10H5ClFN3OS/c11-10-9(14-15-17-10)5-16-7-2-1-6(4-13)8(12)3-7/h1-3H,5H2
InChIKeyRZLXWKZJCFWDPU-UHFFFAOYSA-N
XLogP2.78
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile 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-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile (CID 78952688) is 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile is N#Cc1ccc(OCc2nnsc2Cl)cc1F.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile?
The InChIKey is RZLXWKZJCFWDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3OS/c11-10-9(14-15-17-10)5-16-7-2-1-6(4-13)8(12)3-7/h1-3H,5H2.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile?
4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile has a molecular weight of 269.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 78952688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).