N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine

C13H14N6S — CID 66215841

IUPACN-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2csc(-c3ccccn3)n2)nn1
InChIInChI=1S/C13H14N6S/c1-14-6-10-7-19(18-17-10)8-11-9-20-13(16-11)12-4-2-3-5-15-12/h2-5,7,9,14H,6,8H2,1H3
InChIKeyUHYOZSISKPHZBS-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.56
Rot. Bonds5

About N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine

N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine (PubChem CID 66215841) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
PubChem CID66215841
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC NameN-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESCNCc1cn(Cc2csc(-c3ccccn3)n2)nn1
InChIInChI=1S/C13H14N6S/c1-14-6-10-7-19(18-17-10)8-11-9-20-13(16-11)12-4-2-3-5-15-12/h2-5,7,9,14H,6,8H2,1H3
InChIKeyUHYOZSISKPHZBS-UHFFFAOYSA-N
XLogP1.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221374
1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 146130029
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
CID 66214042
N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 66213821
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79536590
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62399905
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
4-[[4-(chloromethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62400080
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine (CID 66215841) is N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine is CNCc1cn(Cc2csc(-c3ccccn3)n2)nn1.
What is the InChIKey of N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is UHYOZSISKPHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-14-6-10-7-19(18-17-10)8-11-9-20-13(16-11)12-4-2-3-5-15-12/h2-5,7,9,14H,6,8H2,1H3.
What are the key properties of N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 286.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 66215841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).