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

C11H12BrFN2S — CID 50913703

IUPACN-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(Br)c(F)c(CNC2=NCCS2)c1
InChIInChI=1S/C11H12BrFN2S/c1-7-4-8(10(13)9(12)5-7)6-15-11-14-2-3-16-11/h4-5H,2-3,6H2,1H3,(H,14,15)
InChIKeyINPNYWKFXIULGK-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.09
Rot. Bonds2

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

N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 50913703) has the molecular formula C11H12BrFN2S and a molecular weight of 303.20 g/mol. Its IUPAC name is N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID50913703
Molecular FormulaC11H12BrFN2S
Molecular Weight303.20 g/mol
Exact Mass301.99
IUPAC NameN-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(Br)c(F)c(CNC2=NCCS2)c1
InChIInChI=1S/C11H12BrFN2S/c1-7-4-8(10(13)9(12)5-7)6-15-11-14-2-3-16-11/h4-5H,2-3,6H2,1H3,(H,14,15)
InChIKeyINPNYWKFXIULGK-UHFFFAOYSA-N
XLogP3.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913562
N-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 82678591
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 84695301
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 112671215
N-[(3-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12623045
(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
CID 101070863
4-tert-butyl-2-[(4,5-dihydro-1,3-thiazol-2-ylamino)methyl]-6-iodophenol
CID 12761834
1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79237638
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117756
N-(2,2-difluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 115407836

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 50913703) is N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(Br)c(F)c(CNC2=NCCS2)c1.
What is the InChIKey of N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is INPNYWKFXIULGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2S/c1-7-4-8(10(13)9(12)5-7)6-15-11-14-2-3-16-11/h4-5H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 303.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 50913703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).