N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C14H17N5S — CID 60982159

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCCc1ncc(CNC(C)c2nnc3ccccn23)s1
InChIInChI=1S/C14H17N5S/c1-3-13-16-9-11(20-13)8-15-10(2)14-18-17-12-6-4-5-7-19(12)14/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyCLHJXMRWWQEFSL-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.60
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 60982159) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID60982159
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCCc1ncc(CNC(C)c2nnc3ccccn23)s1
InChIInChI=1S/C14H17N5S/c1-3-13-16-9-11(20-13)8-15-10(2)14-18-17-12-6-4-5-7-19(12)14/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyCLHJXMRWWQEFSL-UHFFFAOYSA-N
XLogP2.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 62345446
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 75380780
6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol
CID 79775807
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 75504678
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
(1R)-N-[(2-chlorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697737
N-[(3-methylfuran-2-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 115651754
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 60982159) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CCc1ncc(CNC(C)c2nnc3ccccn23)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is CLHJXMRWWQEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-3-13-16-9-11(20-13)8-15-10(2)14-18-17-12-6-4-5-7-19(12)14/h4-7,9-10,15H,3,8H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 60982159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).