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

C12H15N3S — CID 61287607

IUPACN-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C12H15N3S/c1-8(13-3)11-9(2)15-12(16-11)10-5-4-6-14-7-10/h4-8,13H,1-3H3
InChIKeyXJEBLMOEUMEFIF-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.79
Rot. Bonds3

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

N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 61287607) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID61287607
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C12H15N3S/c1-8(13-3)11-9(2)15-12(16-11)10-5-4-6-14-7-10/h4-8,13H,1-3H3
InChIKeyXJEBLMOEUMEFIF-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine (CID 61287607) is N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine is CNC(C)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is XJEBLMOEUMEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8(13-3)11-9(2)15-12(16-11)10-5-4-6-14-7-10/h4-8,13H,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine?
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 61287607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).