5-chloro-2-(4-fluorophenyl)-1,3-thiazole

C9H5ClFNS — CID 117259108

IUPAC5-chloro-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2ncc(Cl)s2)cc1
InChIInChI=1S/C9H5ClFNS/c10-8-5-12-9(13-8)6-1-3-7(11)4-2-6/h1-5H
InChIKeyICZIKDXXAYJTHJ-UHFFFAOYSA-N
MW213.66 g/mol
LogP3.60
Rot. Bonds1

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

5-chloro-2-(4-fluorophenyl)-1,3-thiazole (PubChem CID 117259108) has the molecular formula C9H5ClFNS and a molecular weight of 213.66 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-1,3-thiazole
PubChem CID117259108
Molecular FormulaC9H5ClFNS
Molecular Weight213.66 g/mol
Exact Mass212.98
IUPAC Name5-chloro-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2ncc(Cl)s2)cc1
InChIInChI=1S/C9H5ClFNS/c10-8-5-12-9(13-8)6-1-3-7(11)4-2-6/h1-5H
InChIKeyICZIKDXXAYJTHJ-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-1,3-thiazole (CID 117259108) is 5-chloro-2-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2ncc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is ICZIKDXXAYJTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNS/c10-8-5-12-9(13-8)6-1-3-7(11)4-2-6/h1-5H.
What are the key properties of 5-chloro-2-(4-fluorophenyl)-1,3-thiazole?
5-chloro-2-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 213.66 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 117259108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).