2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole

C10H7ClFNS2 — CID 60563754

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole
SMILESFc1cccc(Cl)c1CSc1nccs1
InChIInChI=1S/C10H7ClFNS2/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-5H,6H2
InChIKeyBFEKCRDVFYRSCO-UHFFFAOYSA-N
MW259.76 g/mol
LogP4.23
Rot. Bonds3

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

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole (PubChem CID 60563754) has the molecular formula C10H7ClFNS2 and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole
PubChem CID60563754
Molecular FormulaC10H7ClFNS2
Molecular Weight259.76 g/mol
Exact Mass258.97
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole
SMILESFc1cccc(Cl)c1CSc1nccs1
InChIInChI=1S/C10H7ClFNS2/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-5H,6H2
InChIKeyBFEKCRDVFYRSCO-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole (CID 60563754) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole is Fc1cccc(Cl)c1CSc1nccs1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole?
The InChIKey is BFEKCRDVFYRSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS2/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-5H,6H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole has a molecular weight of 259.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 60563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).