4-[(4-fluorophenoxy)methyl]thiadiazole

C9H7FN2OS — CID 70158657

IUPAC4-[(4-fluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2csnn2)cc1
InChIInChI=1S/C9H7FN2OS/c10-7-1-3-9(4-2-7)13-5-8-6-14-12-11-8/h1-4,6H,5H2
InChIKeyQUBWVWXFQKFVBH-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.26
Rot. Bonds3

About 4-[(4-fluorophenoxy)methyl]thiadiazole

4-[(4-fluorophenoxy)methyl]thiadiazole (PubChem CID 70158657) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]thiadiazole
PubChem CID70158657
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name4-[(4-fluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2csnn2)cc1
InChIInChI=1S/C9H7FN2OS/c10-7-1-3-9(4-2-7)13-5-8-6-14-12-11-8/h1-4,6H,5H2
InChIKeyQUBWVWXFQKFVBH-UHFFFAOYSA-N
XLogP2.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Phenoxythiadiazole
CID 18967865
5-(4-Fluorophenoxy)-4-methylthiadiazole
CID 18330444
5-(2,4-Difluorophenoxy)-4-methylthiadiazole
CID 18330453
4-[(2,4-Difluorophenoxy)methyl]thiadiazole
CID 70157764
5-Chloro-4-[(3-fluorophenoxy)methyl]thiadiazole
CID 43407909
5-Chloro-4-[(2-fluorophenoxy)methyl]thiadiazole
CID 43407910
5-Chloro-4-[(4-fluorophenoxy)methyl]thiadiazole
CID 43407919
5-Chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole
CID 43408001
5-Chloro-4-[(2,4-difluorophenoxy)methyl]-1,2,3-thiadiazole
CID 43423798
5-Chloro-4-[(2-chloro-4-fluorophenoxy)methyl]thiadiazole
CID 60673544
5-Chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole
CID 60673587
4-[(2,4-Difluorophenoxy)methyl]thiadiazol-5-amine
CID 62193326

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]thiadiazole?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]thiadiazole (CID 70158657) is 4-[(4-fluorophenoxy)methyl]thiadiazole.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]thiadiazole?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]thiadiazole is Fc1ccc(OCc2csnn2)cc1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]thiadiazole?
The InChIKey is QUBWVWXFQKFVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-7-1-3-9(4-2-7)13-5-8-6-14-12-11-8/h1-4,6H,5H2.
What are the key properties of 4-[(4-fluorophenoxy)methyl]thiadiazole?
4-[(4-fluorophenoxy)methyl]thiadiazole has a molecular weight of 210.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]thiadiazole is sourced from PubChem (CID 70158657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).