N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine

C11H12BrN3S — CID 115921585

IUPACN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine
SMILESCc1ccc(NC(C)c2ncc(Br)s2)cn1
InChIInChI=1S/C11H12BrN3S/c1-7-3-4-9(5-13-7)15-8(2)11-14-6-10(12)16-11/h3-6,8,15H,1-2H3
InChIKeyHAJAQLSILGRMHD-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine

N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine (PubChem CID 115921585) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine
PubChem CID115921585
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine
SMILESCc1ccc(NC(C)c2ncc(Br)s2)cn1
InChIInChI=1S/C11H12BrN3S/c1-7-3-4-9(5-13-7)15-8(2)11-14-6-10(12)16-11/h3-6,8,15H,1-2H3
InChIKeyHAJAQLSILGRMHD-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-4-chloroaniline
CID 115921611
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine
CID 115917033
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115916939
5-[1-[(6-methyl-3-pyridinyl)amino]ethyl]benzene-1,3-diol
CID 107706967
N-(3,3-dimethylbutan-2-yl)-6-methylpyridin-3-amine
CID 115921577
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115769867
(E)-N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]pent-3-en-1-amine
CID 115890167
2-amino-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113387502
6-methyl-N-[(2R)-pentan-2-yl]pyridin-3-amine
CID 97357985
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115770002
(2R)-2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 103903010
2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
CID 115920296

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine?
The IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine (CID 115921585) is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine?
The canonical SMILES for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine is Cc1ccc(NC(C)c2ncc(Br)s2)cn1.
What is the InChIKey of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine?
The InChIKey is HAJAQLSILGRMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7-3-4-9(5-13-7)15-8(2)11-14-6-10(12)16-11/h3-6,8,15H,1-2H3.
What are the key properties of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine?
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine has a molecular weight of 298.21 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-3-amine is sourced from PubChem (CID 115921585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).