5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole

C13H7ClFNS2 — CID 14424305

IUPAC5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2ncc(-c3ccc(Cl)s3)s2)cc1
InChIInChI=1S/C13H7ClFNS2/c14-12-6-5-10(17-12)11-7-16-13(18-11)8-1-3-9(15)4-2-8/h1-7H
InChIKeyAVMXEEPBIXRUEL-UHFFFAOYSA-N
MW295.79 g/mol
LogP5.33
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole

5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole (PubChem CID 14424305) has the molecular formula C13H7ClFNS2 and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole
PubChem CID14424305
Molecular FormulaC13H7ClFNS2
Molecular Weight295.79 g/mol
Exact Mass294.97
IUPAC Name5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2ncc(-c3ccc(Cl)s3)s2)cc1
InChIInChI=1S/C13H7ClFNS2/c14-12-6-5-10(17-12)11-7-16-13(18-11)8-1-3-9(15)4-2-8/h1-7H
InChIKeyAVMXEEPBIXRUEL-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.79
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole (CID 14424305) is 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2ncc(-c3ccc(Cl)s3)s2)cc1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is AVMXEEPBIXRUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNS2/c14-12-6-5-10(17-12)11-7-16-13(18-11)8-1-3-9(15)4-2-8/h1-7H.
What are the key properties of 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole?
5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 295.79 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 14424305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).