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

C13H7F2NS2 — CID 9232581

IUPAC4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole
SMILESFc1ccc(F)c(-c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C13H7F2NS2/c14-9-1-2-11(15)10(5-9)12-7-18-13(16-12)8-3-4-17-6-8/h1-7H
InChIKeyYZHFKEQCBFOKLU-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.82
Rot. Bonds2

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

4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 9232581) has the molecular formula C13H7F2NS2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID9232581
Molecular FormulaC13H7F2NS2
Molecular Weight279.34 g/mol
Exact Mass279.00
IUPAC Name4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole
SMILESFc1ccc(F)c(-c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C13H7F2NS2/c14-9-1-2-11(15)10(5-9)12-7-18-13(16-12)8-3-4-17-6-8/h1-7H
InChIKeyYZHFKEQCBFOKLU-UHFFFAOYSA-N
XLogP4.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole (CID 9232581) is 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole is Fc1ccc(F)c(-c2csc(-c3ccsc3)n2)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is YZHFKEQCBFOKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NS2/c14-9-1-2-11(15)10(5-9)12-7-18-13(16-12)8-3-4-17-6-8/h1-7H.
What are the key properties of 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 279.34 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 9232581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).