N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C11H11BrF2N2S — CID 102854306

IUPACN-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cc(Br)c(F)cc2F)=N1
InChIInChI=1S/C11H11BrF2N2S/c1-11(2)5-17-10(16-11)15-9-3-6(12)7(13)4-8(9)14/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyZVEJGRJICPRRJO-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.02
Rot. Bonds1

About N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 102854306) has the molecular formula C11H11BrF2N2S and a molecular weight of 321.19 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID102854306
Molecular FormulaC11H11BrF2N2S
Molecular Weight321.19 g/mol
Exact Mass319.98
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cc(Br)c(F)cc2F)=N1
InChIInChI=1S/C11H11BrF2N2S/c1-11(2)5-17-10(16-11)15-9-3-6(12)7(13)4-8(9)14/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyZVEJGRJICPRRJO-UHFFFAOYSA-N
XLogP4.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43555941
N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 83087402
N-(5-bromo-2,4-difluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 102854293
N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439978
N-(5-bromo-2,4-difluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 102854291
N-(5-bromo-2,4-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 102854296
N-(2,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43382052
4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
CID 43439652
N-(2-chloro-5-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 107637550
N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 616412
4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine
CID 107589096
N-(5-bromo-2-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 55081376

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 102854306) is N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2cc(Br)c(F)cc2F)=N1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is ZVEJGRJICPRRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2S/c1-11(2)5-17-10(16-11)15-9-3-6(12)7(13)4-8(9)14/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 321.19 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 102854306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).