2-(2-chloro-6-fluorophenyl)-1,3-thiazole

C9H5ClFNS — CID 70579789

IUPAC2-(2-chloro-6-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(Cl)c1-c1nccs1
InChIInChI=1S/C9H5ClFNS/c10-6-2-1-3-7(11)8(6)9-12-4-5-13-9/h1-5H
InChIKeyKVIBVUBQFXJPKT-UHFFFAOYSA-N
MW213.66 g/mol
LogP3.60
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-1,3-thiazole

2-(2-chloro-6-fluorophenyl)-1,3-thiazole (PubChem CID 70579789) has the molecular formula C9H5ClFNS and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1,3-thiazole
PubChem CID70579789
Molecular FormulaC9H5ClFNS
Molecular Weight213.66 g/mol
Exact Mass212.98
IUPAC Name2-(2-chloro-6-fluorophenyl)-1,3-thiazole
SMILESFc1cccc(Cl)c1-c1nccs1
InChIInChI=1S/C9H5ClFNS/c10-6-2-1-3-7(11)8(6)9-12-4-5-13-9/h1-5H
InChIKeyKVIBVUBQFXJPKT-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 2-(2-chloro-6-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-thiazole (CID 70579789) is 2-(2-chloro-6-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1,3-thiazole is Fc1cccc(Cl)c1-c1nccs1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1,3-thiazole?
The InChIKey is KVIBVUBQFXJPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNS/c10-6-2-1-3-7(11)8(6)9-12-4-5-13-9/h1-5H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1,3-thiazole?
2-(2-chloro-6-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 2-(2-chloro-6-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 70579789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).