N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine

C12H15N3S — CID 106755782

IUPACN-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccnc(C)c1
InChIInChI=1S/C12H15N3S/c1-9-5-10(3-4-15-9)12(13-2)6-11-7-14-8-16-11/h3-5,7-8,12-13H,6H2,1-2H3
InChIKeyUNQIREGLZJYEFB-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine

N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 106755782) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID106755782
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccnc(C)c1
InChIInChI=1S/C12H15N3S/c1-9-5-10(3-4-15-9)12(13-2)6-11-7-14-8-16-11/h3-5,7-8,12-13H,6H2,1-2H3
InChIKeyUNQIREGLZJYEFB-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine
CID 106755506
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468
1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642771
N-methyl-2-(1,3-thiazol-5-yl)-1-thiophen-3-ylethanamine
CID 112642765
1-(3-chloro-5-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030810
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
N-methyl-1-(2-methyl-4-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106755047
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642936

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 106755782) is N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1ccnc(C)c1.
What is the InChIKey of N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is UNQIREGLZJYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-5-10(3-4-15-9)12(13-2)6-11-7-14-8-16-11/h3-5,7-8,12-13H,6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine?
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 106755782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).