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

C11H11BrFNS2 — CID 75433966

IUPAC2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC(SCc2cc(F)ccc2Br)=N1
InChIInChI=1S/C11H11BrFNS2/c1-7-5-15-11(14-7)16-6-8-4-9(13)2-3-10(8)12/h2-4,7H,5-6H2,1H3
InChIKeyHIHCXDLVSASAOZ-UHFFFAOYSA-N
MW320.25 g/mol
LogP4.31
Rot. Bonds2

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

2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 75433966) has the molecular formula C11H11BrFNS2 and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID75433966
Molecular FormulaC11H11BrFNS2
Molecular Weight320.25 g/mol
Exact Mass318.95
IUPAC Name2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC(SCc2cc(F)ccc2Br)=N1
InChIInChI=1S/C11H11BrFNS2/c1-7-5-15-11(14-7)16-6-8-4-9(13)2-3-10(8)12/h2-4,7H,5-6H2,1H3
InChIKeyHIHCXDLVSASAOZ-UHFFFAOYSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole (CID 75433966) is 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole is CC1CSC(SCc2cc(F)ccc2Br)=N1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is HIHCXDLVSASAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNS2/c1-7-5-15-11(14-7)16-6-8-4-9(13)2-3-10(8)12/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole?
2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 320.25 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methylsulfanyl]-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 75433966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).