2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole

C10H6BrClFNS — CID 67410404

IUPAC2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole
SMILESFc1c(Cl)cccc1-c1cnc(CBr)s1
InChIInChI=1S/C10H6BrClFNS/c11-4-9-14-5-8(15-9)6-2-1-3-7(12)10(6)13/h1-3,5H,4H2
InChIKeySLFTWCIBDHZGSF-UHFFFAOYSA-N
MW306.59 g/mol
LogP4.50
Rot. Bonds2

About 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole

2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole (PubChem CID 67410404) has the molecular formula C10H6BrClFNS and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole
PubChem CID67410404
Molecular FormulaC10H6BrClFNS
Molecular Weight306.59 g/mol
Exact Mass304.91
IUPAC Name2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole
SMILESFc1c(Cl)cccc1-c1cnc(CBr)s1
InChIInChI=1S/C10H6BrClFNS/c11-4-9-14-5-8(15-9)6-2-1-3-7(12)10(6)13/h1-3,5H,4H2
InChIKeySLFTWCIBDHZGSF-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 54.50
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-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole (CID 67410404) is 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole is Fc1c(Cl)cccc1-c1cnc(CBr)s1.
What is the InChIKey of 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole?
The InChIKey is SLFTWCIBDHZGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNS/c11-4-9-14-5-8(15-9)6-2-1-3-7(12)10(6)13/h1-3,5H,4H2.
What are the key properties of 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole?
2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole has a molecular weight of 306.59 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(3-chloro-2-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 67410404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).