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

C13H17N3S — CID 55086572

IUPACN-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(Cc2ccncc2)n1
InChIInChI=1S/C13H17N3S/c1-10(2)15-8-12-9-17-13(16-12)7-11-3-5-14-6-4-11/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyUMQCQRUCGLYWAG-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.63
Rot. Bonds5

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

N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 55086572) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID55086572
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(Cc2ccncc2)n1
InChIInChI=1S/C13H17N3S/c1-10(2)15-8-12-9-17-13(16-12)7-11-3-5-14-6-4-11/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyUMQCQRUCGLYWAG-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-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-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 55086572) is N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(Cc2ccncc2)n1.
What is the InChIKey of N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is UMQCQRUCGLYWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(2)15-8-12-9-17-13(16-12)7-11-3-5-14-6-4-11/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55086572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).