2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

C13H17N3S — CID 55070550

IUPAC2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C13H17N3S/c1-10(2)7-14-8-11-9-16-13(17-11)12-5-3-4-6-15-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyDHVXXDWFNNZAOO-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine

2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 55070550) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID55070550
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccccn2)s1
InChIInChI=1S/C13H17N3S/c1-10(2)7-14-8-11-9-16-13(17-11)12-5-3-4-6-15-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyDHVXXDWFNNZAOO-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-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 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 55070550) is 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is CC(C)CNCc1cnc(-c2ccccn2)s1.
What is the InChIKey of 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is DHVXXDWFNNZAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(2)7-14-8-11-9-16-13(17-11)12-5-3-4-6-15-12/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine?
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 55070550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).