4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole

C9H5BrClFN2OS — CID 43407975

IUPAC4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole
SMILESFc1cc(Br)ccc1OCc1nnsc1Cl
InChIInChI=1S/C9H5BrClFN2OS/c10-5-1-2-8(6(12)3-5)15-4-7-9(11)16-14-13-7/h1-3H,4H2
InChIKeyYCZRMBRMWRHQBI-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.67
Rot. Bonds3

About 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole

4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole (PubChem CID 43407975) has the molecular formula C9H5BrClFN2OS and a molecular weight of 323.57 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole
PubChem CID43407975
Molecular FormulaC9H5BrClFN2OS
Molecular Weight323.57 g/mol
Exact Mass321.90
IUPAC Name4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole
SMILESFc1cc(Br)ccc1OCc1nnsc1Cl
InChIInChI=1S/C9H5BrClFN2OS/c10-5-1-2-8(6(12)3-5)15-4-7-9(11)16-14-13-7/h1-3H,4H2
InChIKeyYCZRMBRMWRHQBI-UHFFFAOYSA-N
XLogP3.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[(2-Bromo-4-fluorophenoxy)methyl]-5-chlorothiadiazole
CID 43407974
5-Chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole
CID 43408001
5-Chloro-4-[(2,4-difluorophenoxy)methyl]-1,2,3-thiadiazole
CID 43423798
(5-Chlorothiadiazol-4-yl)methyl 2-(4-bromo-2-fluorophenoxy)acetate
CID 55420109
5-Chloro-4-[(2-chloro-4-fluorophenoxy)methyl]thiadiazole
CID 60673544
5-Chloro-4-[(3-chloro-4-fluorophenoxy)methyl]thiadiazole
CID 60673587
4-[(2-Bromo-4-fluorophenoxy)methyl]thiadiazol-5-amine
CID 62193158
4-[(4-Bromo-2-fluorophenoxy)methyl]thiadiazol-5-amine
CID 62193268
[4-[(4-Bromo-2-fluorophenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245646

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole?
The IUPAC name of 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole (CID 43407975) is 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole?
The canonical SMILES for 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole is Fc1cc(Br)ccc1OCc1nnsc1Cl.
What is the InChIKey of 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole?
The InChIKey is YCZRMBRMWRHQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2OS/c10-5-1-2-8(6(12)3-5)15-4-7-9(11)16-14-13-7/h1-3H,4H2.
What are the key properties of 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole?
4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole has a molecular weight of 323.57 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenoxy)methyl]-5-chlorothiadiazole is sourced from PubChem (CID 43407975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).