5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole

C10H8ClFN2OS — CID 107169123

IUPAC5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole
SMILESCc1ccc(OCc2nnsc2Cl)cc1F
InChIInChI=1S/C10H8ClFN2OS/c1-6-2-3-7(4-8(6)12)15-5-9-10(11)16-14-13-9/h2-4H,5H2,1H3
InChIKeyILIBAMOKYQKGRZ-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.22
Rot. Bonds3

About 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole

5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole (PubChem CID 107169123) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole
PubChem CID107169123
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole
SMILESCc1ccc(OCc2nnsc2Cl)cc1F
InChIInChI=1S/C10H8ClFN2OS/c1-6-2-3-7(4-8(6)12)15-5-9-10(11)16-14-13-9/h2-4H,5H2,1H3
InChIKeyILIBAMOKYQKGRZ-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole (CID 107169123) is 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole is Cc1ccc(OCc2nnsc2Cl)cc1F.
What is the InChIKey of 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole?
The InChIKey is ILIBAMOKYQKGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c1-6-2-3-7(4-8(6)12)15-5-9-10(11)16-14-13-9/h2-4H,5H2,1H3.
What are the key properties of 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole?
5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole has a molecular weight of 258.70 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]thiadiazole is sourced from PubChem (CID 107169123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).