2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

C10H9ClFNS2 — CID 3558863

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cccc(Cl)c1CSC1=NCCS1
InChIInChI=1S/C10H9ClFNS2/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-3H,4-6H2
InChIKeyFGKVMIITUJGSQI-UHFFFAOYSA-N
MW261.77 g/mol
LogP3.82
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 3558863) has the molecular formula C10H9ClFNS2 and a molecular weight of 261.77 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID3558863
Molecular FormulaC10H9ClFNS2
Molecular Weight261.77 g/mol
Exact Mass260.98
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1cccc(Cl)c1CSC1=NCCS1
InChIInChI=1S/C10H9ClFNS2/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-3H,4-6H2
InChIKeyFGKVMIITUJGSQI-UHFFFAOYSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 3558863) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is Fc1cccc(Cl)c1CSC1=NCCS1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is FGKVMIITUJGSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNS2/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-3H,4-6H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 261.77 g/mol, XLogP of 3.82, 2 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]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 3558863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).