N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

C13H16BrFN2S — CID 107593097

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(Nc2cc(Br)c(F)cc2C)S1
InChIInChI=1S/C13H16BrFN2S/c1-3-4-9-7-16-13(18-9)17-12-6-10(14)11(15)5-8(12)2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyBUIUVMFGYYYSDB-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.58
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine

N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107593097) has the molecular formula C13H16BrFN2S and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107593097
Molecular FormulaC13H16BrFN2S
Molecular Weight331.25 g/mol
Exact Mass330.02
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(Nc2cc(Br)c(F)cc2C)S1
InChIInChI=1S/C13H16BrFN2S/c1-3-4-9-7-16-13(18-9)17-12-6-10(14)11(15)5-8(12)2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyBUIUVMFGYYYSDB-UHFFFAOYSA-N
XLogP4.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684
3-bromo-4-[(5-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 114001990
N-(5-methyl-3-pyridinyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107585929
5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492467
N-(2-bromo-5-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154643
5-ethyl-N-(2,3,5,6-tetrafluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107645457
N-(2-bromo-3-methylphenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154621
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
N-(5-chloroquinolin-8-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 116785082
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445
5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
CID 107591726
3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
CID 107593871

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107593097) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(Nc2cc(Br)c(F)cc2C)S1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BUIUVMFGYYYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2S/c1-3-4-9-7-16-13(18-9)17-12-6-10(14)11(15)5-8(12)2/h5-6,9H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 331.25 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107593097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).