1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C13H17N3S — CID 113459583

IUPAC1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(Cc2ccccn2)sc1CNC
InChIInChI=1S/C13H17N3S/c1-3-11-12(9-14-2)17-13(16-11)8-10-6-4-5-7-15-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyLXSXFHQDKZXSCI-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.41
Rot. Bonds5

About 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 113459583) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID113459583
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(Cc2ccccn2)sc1CNC
InChIInChI=1S/C13H17N3S/c1-3-11-12(9-14-2)17-13(16-11)8-10-6-4-5-7-15-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyLXSXFHQDKZXSCI-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362289
N-[[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362524
1-[2-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82428977
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
1-[2-(tert-butylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841176
N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282498
5-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-4-amine
CID 83107325
N-[[2-[(2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841272
4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117566
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 107509600
N,4-diethyl-N-(2-fluorophenyl)-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62768385
N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104842020

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 113459583) is 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(Cc2ccccn2)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is LXSXFHQDKZXSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-11-12(9-14-2)17-13(16-11)8-10-6-4-5-7-15-10/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 113459583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).