3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine

C14H16N6S — CID 106221374

IUPAC3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(Cc2csc(-c3ccccn3)n2)nn1
InChIInChI=1S/C14H16N6S/c15-6-3-4-11-8-20(19-18-11)9-12-10-21-14(17-12)13-5-1-2-7-16-13/h1-2,5,7-8,10H,3-4,6,9,15H2
InChIKeyIOZHATSVNNMMKM-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.74
Rot. Bonds6

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

3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106221374) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106221374
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
SMILESNCCCc1cn(Cc2csc(-c3ccccn3)n2)nn1
InChIInChI=1S/C14H16N6S/c15-6-3-4-11-8-20(19-18-11)9-12-10-21-14(17-12)13-5-1-2-7-16-13/h1-2,5,7-8,10H,3-4,6,9,15H2
InChIKeyIOZHATSVNNMMKM-UHFFFAOYSA-N
XLogP1.74
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine with MolForge

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Related Compounds

N-methyl-1-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methanamine
CID 66215841
1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 146130029
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
5-propan-2-yl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79536590
3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106221632
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62399905
N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106221282
3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220716
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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine (CID 106221374) is 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine is NCCCc1cn(Cc2csc(-c3ccccn3)n2)nn1.
What is the InChIKey of 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is IOZHATSVNNMMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c15-6-3-4-11-8-20(19-18-11)9-12-10-21-14(17-12)13-5-1-2-7-16-13/h1-2,5,7-8,10H,3-4,6,9,15H2.
What are the key properties of 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine?
3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 300.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106221374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).