N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C14H19N5S — CID 72874851

IUPACN-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCN(Cc1nccs1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H19N5S/c1-18(11-13-15-7-10-20-13)12-3-8-19(9-4-12)14-16-5-2-6-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3
InChIKeyYTGJTXLOYNNQGM-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 72874851) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID72874851
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCN(Cc1nccs1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H19N5S/c1-18(11-13-15-7-10-20-13)12-3-8-19(9-4-12)14-16-5-2-6-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3
InChIKeyYTGJTXLOYNNQGM-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine 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 N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 72874851) is N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is CN(Cc1nccs1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is YTGJTXLOYNNQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-18(11-13-15-7-10-20-13)12-3-8-19(9-4-12)14-16-5-2-6-17-14/h2,5-7,10,12H,3-4,8-9,11H2,1H3.
What are the key properties of N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 289.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 72874851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).