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

C13H17N3S — CID 62651177

IUPACN-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2ccccn2)s1
InChIInChI=1S/C13H17N3S/c1-3-14-10(2)12-9-16-13(17-12)8-11-6-4-5-7-15-11/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyXGPRCJGOASNYGH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.80
Rot. Bonds5

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

N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62651177) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62651177
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2ccccn2)s1
InChIInChI=1S/C13H17N3S/c1-3-14-10(2)12-9-16-13(17-12)8-11-6-4-5-7-15-11/h4-7,9-10,14H,3,8H2,1-2H3
InChIKeyXGPRCJGOASNYGH-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653744
N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282498
1-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102641
1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62904548
1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63024387
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651183
N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102154
N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964670
N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62652461
1-[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66146662
1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62651933
N-ethyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 63250996

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 62651177) is N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(Cc2ccccn2)s1.
What is the InChIKey of N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XGPRCJGOASNYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-14-10(2)12-9-16-13(17-12)8-11-6-4-5-7-15-11/h4-7,9-10,14H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62651177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).