N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H10Br2F3N3S — CID 106783665

IUPACN-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1ncc(Br)cc1Br
InChIInChI=1S/C12H10Br2F3N3S/c1-2-18-10(9-7(14)3-6(13)4-19-9)8-5-20-11(21-8)12(15,16)17/h3-5,10,18H,2H2,1H3
InChIKeySZIZHDLGIFQKIK-UHFFFAOYSA-N
MW445.10 g/mol
LogP4.78
Rot. Bonds4

About N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783665) has the molecular formula C12H10Br2F3N3S and a molecular weight of 445.10 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783665
Molecular FormulaC12H10Br2F3N3S
Molecular Weight445.10 g/mol
Exact Mass442.89
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1ncc(Br)cc1Br
InChIInChI=1S/C12H10Br2F3N3S/c1-2-18-10(9-7(14)3-6(13)4-19-9)8-5-20-11(21-8)12(15,16)17/h3-5,10,18H,2H2,1H3
InChIKeySZIZHDLGIFQKIK-UHFFFAOYSA-N
XLogP4.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.10
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[(2-bromofuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106859032
N-[(3-fluoro-5-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783572
N-[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786407
N-[(4-propan-2-ylthiadiazol-5-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786474
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
N-[(2-fluoro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786434
N-[(2-methyl-1,3-thiazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106786078
N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
N-[(3-chlorothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785064
N-[(3-chloro-4-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785285
N-[(5-bromothiophen-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106785723
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783665) is N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)c1ncc(Br)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SZIZHDLGIFQKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2F3N3S/c1-2-18-10(9-7(14)3-6(13)4-19-9)8-5-20-11(21-8)12(15,16)17/h3-5,10,18H,2H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 445.10 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).