2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole

C8H9BrFNS — CID 171653460

IUPAC2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole
SMILESCC/C(F)=C\c1sc(Br)nc1C
InChIInChI=1S/C8H9BrFNS/c1-3-6(10)4-7-5(2)11-8(9)12-7/h4H,3H2,1-2H3/b6-4+
InChIKeyBSSGOKCBDAPZHO-GQCTYLIASA-N
MW250.14 g/mol
LogP3.93
Rot. Bonds2

About 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole

2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole (PubChem CID 171653460) has the molecular formula C8H9BrFNS and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole
PubChem CID171653460
Molecular FormulaC8H9BrFNS
Molecular Weight250.14 g/mol
Exact Mass248.96
IUPAC Name2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole
SMILESCC/C(F)=C\c1sc(Br)nc1C
InChIInChI=1S/C8H9BrFNS/c1-3-6(10)4-7-5(2)11-8(9)12-7/h4H,3H2,1-2H3/b6-4+
InChIKeyBSSGOKCBDAPZHO-GQCTYLIASA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole (CID 171653460) is 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole is CC/C(F)=C\c1sc(Br)nc1C.
What is the InChIKey of 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole?
The InChIKey is BSSGOKCBDAPZHO-GQCTYLIASA-N. The full InChI is InChI=1S/C8H9BrFNS/c1-3-6(10)4-7-5(2)11-8(9)12-7/h4H,3H2,1-2H3/b6-4+.
What are the key properties of 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole?
2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole has a molecular weight of 250.14 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(E)-2-fluorobut-1-enyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 171653460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).