1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine

C13H17N3S — CID 107504219

IUPAC1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(-c2cc(C)nc(C)c2)n1
InChIInChI=1S/C13H17N3S/c1-8-5-11(6-9(2)15-8)13-16-12(7-17-13)10(3)14-4/h5-7,10,14H,1-4H3
InChIKeyPLPPUBOSHAOPEB-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.10
Rot. Bonds3

About 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 107504219) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID107504219
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(-c2cc(C)nc(C)c2)n1
InChIInChI=1S/C13H17N3S/c1-8-5-11(6-9(2)15-8)13-16-12(7-17-13)10(3)14-4/h5-7,10,14H,1-4H3
InChIKeyPLPPUBOSHAOPEB-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 107504219) is 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(-c2cc(C)nc(C)c2)n1.
What is the InChIKey of 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is PLPPUBOSHAOPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-5-11(6-9(2)15-8)13-16-12(7-17-13)10(3)14-4/h5-7,10,14H,1-4H3.
What are the key properties of 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 247.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 107504219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).