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

C11H11Br2N3S — CID 113398626

IUPAC1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ncc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3S/c1-14-10(3-8-5-15-6-17-8)11-9(13)2-7(12)4-16-11/h2,4-6,10,14H,3H2,1H3
InChIKeyQALBCMVETAZVEG-UHFFFAOYSA-N
MW377.11 g/mol
LogP3.57
Rot. Bonds4

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

1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 113398626) has the molecular formula C11H11Br2N3S and a molecular weight of 377.11 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID113398626
Molecular FormulaC11H11Br2N3S
Molecular Weight377.11 g/mol
Exact Mass374.90
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ncc(Br)cc1Br
InChIInChI=1S/C11H11Br2N3S/c1-14-10(3-8-5-15-6-17-8)11-9(13)2-7(12)4-16-11/h2,4-6,10,14H,3H2,1H3
InChIKeyQALBCMVETAZVEG-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.11
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dibromophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114019360
1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114025371
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
N-methyl-2-(1,3-thiazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030553
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452
1-(2-bromo-3-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107985345
1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
N-methyl-1-(1-methylimidazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 107977114
1-(2,5-dimethoxyphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030714

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 113398626) is 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1ncc(Br)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is QALBCMVETAZVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3S/c1-14-10(3-8-5-15-6-17-8)11-9(13)2-7(12)4-16-11/h2,4-6,10,14H,3H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 377.11 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 113398626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).