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

C11H12BrFN2S — CID 43555941

IUPACN-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cc(Br)ccc2F)=N1
InChIInChI=1S/C11H12BrFN2S/c1-11(2)6-16-10(15-11)14-9-5-7(12)3-4-8(9)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeySJVOGCOIRDDSNC-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.88
Rot. Bonds1

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

N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 43555941) has the molecular formula C11H12BrFN2S and a molecular weight of 303.20 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID43555941
Molecular FormulaC11H12BrFN2S
Molecular Weight303.20 g/mol
Exact Mass301.99
IUPAC NameN-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cc(Br)ccc2F)=N1
InChIInChI=1S/C11H12BrFN2S/c1-11(2)6-16-10(15-11)14-9-5-7(12)3-4-8(9)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeySJVOGCOIRDDSNC-UHFFFAOYSA-N
XLogP3.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 102854306
N-(5-bromo-2-fluorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 55081376
N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550701
4,4-dimethyl-N-(2-phenylphenyl)-5H-1,3-thiazol-2-amine
CID 43439652
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426
N-(2-ethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 616412
4-bromo-2-N-(5-bromo-2-fluorophenyl)benzene-1,2-diamine
CID 65343677
N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 83087402
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 81288365
4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine
CID 107589096
N-(5-bromo-2-chlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298479

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 43555941) is N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2cc(Br)ccc2F)=N1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is SJVOGCOIRDDSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2S/c1-11(2)6-16-10(15-11)14-9-5-7(12)3-4-8(9)13/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(5-bromo-2-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 303.20 g/mol, XLogP of 3.88, 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-fluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 43555941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).