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

C15H19N5S — CID 43106751

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCCc2nnc3ccccn23)c(C)s1
InChIInChI=1S/C15H19N5S/c1-10(15-11(2)21-12(3)17-15)16-8-7-14-19-18-13-6-4-5-9-20(13)14/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyJSAHAHNKFAYCGE-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.70
Rot. Bonds5

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

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (PubChem CID 43106751) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
PubChem CID43106751
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
SMILESCc1nc(C(C)NCCc2nnc3ccccn23)c(C)s1
InChIInChI=1S/C15H19N5S/c1-10(15-11(2)21-12(3)17-15)16-8-7-14-19-18-13-6-4-5-9-20(13)14/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyJSAHAHNKFAYCGE-UHFFFAOYSA-N
XLogP2.70
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methylfuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203680
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768206
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
1-(4-iodophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768195
1-(5-bromofuran-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 104652141
N,N-dimethyl-2-[(1S)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]aniline
CID 97160726
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]butanoic acid
CID 115352247
1-(furan-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-1-amine
CID 62633765
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
CID 43204647

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (CID 43106751) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine is Cc1nc(C(C)NCCc2nnc3ccccn23)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The InChIKey is JSAHAHNKFAYCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-10(15-11(2)21-12(3)17-15)16-8-7-14-19-18-13-6-4-5-9-20(13)14/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine has a molecular weight of 301.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43106751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).