4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole

C13H8FNS2 — CID 2740465

IUPAC4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C13H8FNS2/c14-11-3-1-9(2-4-11)12-8-17-13(15-12)10-5-6-16-7-10/h1-8H
InChIKeyKKWRLQOIWVXEGE-UHFFFAOYSA-N
MW261.35 g/mol
LogP4.68
Rot. Bonds2

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

4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 2740465) has the molecular formula C13H8FNS2 and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID2740465
Molecular FormulaC13H8FNS2
Molecular Weight261.35 g/mol
Exact Mass261.01
IUPAC Name4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole
SMILESFc1ccc(-c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C13H8FNS2/c14-11-3-1-9(2-4-11)12-8-17-13(15-12)10-5-6-16-7-10/h1-8H
InChIKeyKKWRLQOIWVXEGE-UHFFFAOYSA-N
XLogP4.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole (CID 2740465) is 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole is Fc1ccc(-c2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is KKWRLQOIWVXEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNS2/c14-11-3-1-9(2-4-11)12-8-17-13(15-12)10-5-6-16-7-10/h1-8H.
What are the key properties of 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole?
4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 261.35 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 2740465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).