N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine

C13H17N3S — CID 54883723

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCCc1ncc(CNCCc2cccnc2)s1
InChIInChI=1S/C13H17N3S/c1-2-13-16-10-12(17-13)9-15-7-5-11-4-3-6-14-8-11/h3-4,6,8,10,15H,2,5,7,9H2,1H3
InChIKeyPSXGWVWTNYIHAX-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.43
Rot. Bonds6

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 54883723) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID54883723
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine
SMILESCCc1ncc(CNCCc2cccnc2)s1
InChIInChI=1S/C13H17N3S/c1-2-13-16-10-12(17-13)9-15-7-5-11-4-3-6-14-8-11/h3-4,6,8,10,15H,2,5,7,9H2,1H3
InChIKeyPSXGWVWTNYIHAX-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115747393
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
N-[[2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82422876
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol
CID 64592557
N-[[2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422878
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82422371

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine (CID 54883723) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine is CCc1ncc(CNCCc2cccnc2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is PSXGWVWTNYIHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-13-16-10-12(17-13)9-15-7-5-11-4-3-6-14-8-11/h3-4,6,8,10,15H,2,5,7,9H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 54883723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).