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

C10H9BrFNS2 — CID 146023855

IUPAC2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1c(Br)cccc1CSC1=NCCS1
InChIInChI=1S/C10H9BrFNS2/c11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10/h1-3H,4-6H2
InChIKeyCFSPWHXHRUMMHI-UHFFFAOYSA-N
MW306.22 g/mol
LogP3.92
Rot. Bonds2

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

2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 146023855) has the molecular formula C10H9BrFNS2 and a molecular weight of 306.22 g/mol. Its IUPAC name is 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID146023855
Molecular FormulaC10H9BrFNS2
Molecular Weight306.22 g/mol
Exact Mass304.93
IUPAC Name2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESFc1c(Br)cccc1CSC1=NCCS1
InChIInChI=1S/C10H9BrFNS2/c11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10/h1-3H,4-6H2
InChIKeyCFSPWHXHRUMMHI-UHFFFAOYSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 146023855) is 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is Fc1c(Br)cccc1CSC1=NCCS1.
What is the InChIKey of 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is CFSPWHXHRUMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNS2/c11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10/h1-3H,4-6H2.
What are the key properties of 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 306.22 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 146023855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).