N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H15N3S — CID 61282498

IUPACN-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2ccccn2)s1
InChIInChI=1S/C12H15N3S/c1-2-13-8-11-9-15-12(16-11)7-10-5-3-4-6-14-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyNQINPHBUXSMUSP-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.24
Rot. Bonds5

About N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 61282498) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID61282498
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(Cc2ccccn2)s1
InChIInChI=1S/C12H15N3S/c1-2-13-8-11-9-15-12(16-11)7-10-5-3-4-6-14-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyNQINPHBUXSMUSP-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606
N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651177
N-[[4-tert-butyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362524
N-[[2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62757130
N-[[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190967
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82422371
1-[4-ethyl-2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 113459583
N,N-diethyl-2-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]ethanamine
CID 61282306
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190975
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82191156
5-(ethylaminomethyl)-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62752893
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 62404630

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 61282498) is N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(Cc2ccccn2)s1.
What is the InChIKey of N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is NQINPHBUXSMUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-13-8-11-9-15-12(16-11)7-10-5-3-4-6-14-10/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 61282498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).