N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine

C13H17N3S — CID 75431812

IUPACN-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCN(CCc1ccccn1)CCc1nccs1
InChIInChI=1S/C13H17N3S/c1-16(10-6-13-15-8-11-17-13)9-5-12-4-2-3-7-14-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyLWWGGBWAHCYIBK-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.26
Rot. Bonds6

About N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine

N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 75431812) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID75431812
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCN(CCc1ccccn1)CCc1nccs1
InChIInChI=1S/C13H17N3S/c1-16(10-6-13-15-8-11-17-13)9-5-12-4-2-3-7-14-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyLWWGGBWAHCYIBK-UHFFFAOYSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (CID 75431812) is N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is CN(CCc1ccccn1)CCc1nccs1.
What is the InChIKey of N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is LWWGGBWAHCYIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(10-6-13-15-8-11-17-13)9-5-12-4-2-3-7-14-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 75431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).