3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole

C8H3ClF2N2S — CID 102944122

IUPAC3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole
SMILESFc1ccc(-c2nc(Cl)ns2)cc1F
InChIInChI=1S/C8H3ClF2N2S/c9-8-12-7(14-13-8)4-1-2-5(10)6(11)3-4/h1-3H
InChIKeyIZSVGVGAMOXKPI-UHFFFAOYSA-N
MW232.64 g/mol
LogP3.14
Rot. Bonds1

About 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole

3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole (PubChem CID 102944122) has the molecular formula C8H3ClF2N2S and a molecular weight of 232.64 g/mol. Its IUPAC name is 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole
PubChem CID102944122
Molecular FormulaC8H3ClF2N2S
Molecular Weight232.64 g/mol
Exact Mass231.97
IUPAC Name3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole
SMILESFc1ccc(-c2nc(Cl)ns2)cc1F
InChIInChI=1S/C8H3ClF2N2S/c9-8-12-7(14-13-8)4-1-2-5(10)6(11)3-4/h1-3H
InChIKeyIZSVGVGAMOXKPI-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
CID 102943984
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943957
2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol
CID 116885934
2,3,5-trichloro-6-(3,4-difluorophenyl)pyridine
CID 102752544
2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 116868367
5-(4-fluoro-3-methoxyphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943827
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
3-(3-chloro-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618590
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole
CID 102944112

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole (CID 102944122) is 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole is Fc1ccc(-c2nc(Cl)ns2)cc1F.
What is the InChIKey of 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole?
The InChIKey is IZSVGVGAMOXKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2S/c9-8-12-7(14-13-8)4-1-2-5(10)6(11)3-4/h1-3H.
What are the key properties of 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole?
3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole has a molecular weight of 232.64 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102944122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).