3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole

C12H6F2N2S2 — CID 68977639

IUPAC3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(-c3cccs3)n2)c(F)c1
InChIInChI=1S/C12H6F2N2S2/c13-7-3-4-8(9(14)6-7)11-15-12(18-16-11)10-2-1-5-17-10/h1-6H
InChIKeyLAVDXSMWDUHELH-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.21
Rot. Bonds2

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

3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole (PubChem CID 68977639) has the molecular formula C12H6F2N2S2 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole
PubChem CID68977639
Molecular FormulaC12H6F2N2S2
Molecular Weight280.32 g/mol
Exact Mass279.99
IUPAC Name3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(-c3cccs3)n2)c(F)c1
InChIInChI=1S/C12H6F2N2S2/c13-7-3-4-8(9(14)6-7)11-15-12(18-16-11)10-2-1-5-17-10/h1-6H
InChIKeyLAVDXSMWDUHELH-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole (CID 68977639) is 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole is Fc1ccc(-c2nsc(-c3cccs3)n2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
The InChIKey is LAVDXSMWDUHELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2S2/c13-7-3-4-8(9(14)6-7)11-15-12(18-16-11)10-2-1-5-17-10/h1-6H.
What are the key properties of 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole?
3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole has a molecular weight of 280.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-thiophen-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 68977639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).