2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole

C11H8BrClFNS — CID 116889010

IUPAC2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
SMILESFc1ccc(Br)cc1-c1nc(CCCl)cs1
InChIInChI=1S/C11H8BrClFNS/c12-7-1-2-10(14)9(5-7)11-15-8(3-4-13)6-16-11/h1-2,5-6H,3-4H2
InChIKeyDSCRISWRRNQGKY-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.49
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole

2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole (PubChem CID 116889010) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
PubChem CID116889010
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC Name2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole
SMILESFc1ccc(Br)cc1-c1nc(CCCl)cs1
InChIInChI=1S/C11H8BrClFNS/c12-7-1-2-10(14)9(5-7)11-15-8(3-4-13)6-16-11/h1-2,5-6H,3-4H2
InChIKeyDSCRISWRRNQGKY-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole (CID 116889010) is 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole is Fc1ccc(Br)cc1-c1nc(CCCl)cs1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole?
The InChIKey is DSCRISWRRNQGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-7-1-2-10(14)9(5-7)11-15-8(3-4-13)6-16-11/h1-2,5-6H,3-4H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole?
2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole has a molecular weight of 320.61 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-4-(2-chloroethyl)-1,3-thiazole is sourced from PubChem (CID 116889010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).