N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H7BrClFN2S — CID 107614090

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(Cl)c(NC2=NCCS2)c(Br)c1
InChIInChI=1S/C9H7BrClFN2S/c10-6-3-5(12)4-7(11)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14)
InChIKeyCAHNEIGNOOYEKT-UHFFFAOYSA-N
MW309.59 g/mol
LogP3.76
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107614090) has the molecular formula C9H7BrClFN2S and a molecular weight of 309.59 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107614090
Molecular FormulaC9H7BrClFN2S
Molecular Weight309.59 g/mol
Exact Mass307.92
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(Cl)c(NC2=NCCS2)c(Br)c1
InChIInChI=1S/C9H7BrClFN2S/c10-6-3-5(12)4-7(11)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14)
InChIKeyCAHNEIGNOOYEKT-UHFFFAOYSA-N
XLogP3.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107614090) is N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Fc1cc(Cl)c(NC2=NCCS2)c(Br)c1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CAHNEIGNOOYEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFN2S/c10-6-3-5(12)4-7(11)8(6)14-9-13-1-2-15-9/h3-4H,1-2H2,(H,13,14).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 309.59 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107614090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).