1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

C14H18BrN3S — CID 104801872

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)Cc1nc(C)cs1
InChIInChI=1S/C14H18BrN3S/c1-3-16-13(7-14-18-10(2)9-19-14)6-12-5-4-11(15)8-17-12/h4-5,8-9,13,16H,3,6-7H2,1-2H3
InChIKeyLXYWAMLVIUKFAS-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.37
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 104801872) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID104801872
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(Br)cn1)Cc1nc(C)cs1
InChIInChI=1S/C14H18BrN3S/c1-3-16-13(7-14-18-10(2)9-19-14)6-12-5-4-11(15)8-17-12/h4-5,8-9,13,16H,3,6-7H2,1-2H3
InChIKeyLXYWAMLVIUKFAS-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796034
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62795685
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796365
1-(5-bromo-2-pyridinyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 105036122
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796544
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105180924
N-ethyl-1-(1-methylimidazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 79752465
N-ethyl-5,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 62794826
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755829

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 104801872) is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is CCNC(Cc1ccc(Br)cn1)Cc1nc(C)cs1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is LXYWAMLVIUKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-3-16-13(7-14-18-10(2)9-19-14)6-12-5-4-11(15)8-17-12/h4-5,8-9,13,16H,3,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine?
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 340.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 104801872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).