(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

C16H24N6OS — CID 30897197

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCNCc1cn(CC2CCN(C(=O)c3sc(C)nc3C)CC2)nn1
InChIInChI=1S/C16H24N6OS/c1-11-15(24-12(2)18-11)16(23)21-6-4-13(5-7-21)9-22-10-14(8-17-3)19-20-22/h10,13,17H,4-9H2,1-3H3
InChIKeyJFMHYQNSBLGFGS-UHFFFAOYSA-N
MW348.48 g/mol
LogP1.62
Rot. Bonds5

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 30897197) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID30897197
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCNCc1cn(CC2CCN(C(=O)c3sc(C)nc3C)CC2)nn1
InChIInChI=1S/C16H24N6OS/c1-11-15(24-12(2)18-11)16(23)21-6-4-13(5-7-21)9-22-10-14(8-17-3)19-20-22/h10,13,17H,4-9H2,1-3H3
InChIKeyJFMHYQNSBLGFGS-UHFFFAOYSA-N
XLogP1.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (CID 30897197) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is CNCc1cn(CC2CCN(C(=O)c3sc(C)nc3C)CC2)nn1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is JFMHYQNSBLGFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11-15(24-12(2)18-11)16(23)21-6-4-13(5-7-21)9-22-10-14(8-17-3)19-20-22/h10,13,17H,4-9H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 348.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 30897197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).