N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C14H15BrF2N2OS — CID 104588786

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cc(Br)ccc1OC(F)F)c1nccs1
InChIInChI=1S/C14H15BrF2N2OS/c1-9(13-19-4-5-21-13)7-18-8-10-6-11(15)2-3-12(10)20-14(16)17/h2-6,9,14,18H,7-8H2,1H3
InChIKeyGWCYPJCGABLRSJ-UHFFFAOYSA-N
MW377.25 g/mol
LogP4.40
Rot. Bonds7

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104588786) has the molecular formula C14H15BrF2N2OS and a molecular weight of 377.25 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104588786
Molecular FormulaC14H15BrF2N2OS
Molecular Weight377.25 g/mol
Exact Mass376.01
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cc(Br)ccc1OC(F)F)c1nccs1
InChIInChI=1S/C14H15BrF2N2OS/c1-9(13-19-4-5-21-13)7-18-8-10-6-11(15)2-3-12(10)20-14(16)17/h2-6,9,14,18H,7-8H2,1H3
InChIKeyGWCYPJCGABLRSJ-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588621
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784
2-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 104588599
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86876414
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-2-amine
CID 43221077
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588751
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220482
3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-2-methylpropane-1,2-diol
CID 66171300
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 43220642
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104588786) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNCc1cc(Br)ccc1OC(F)F)c1nccs1.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is GWCYPJCGABLRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2OS/c1-9(13-19-4-5-21-13)7-18-8-10-6-11(15)2-3-12(10)20-14(16)17/h2-6,9,14,18H,7-8H2,1H3.
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 377.25 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104588786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).