N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C13H18N4S — CID 105146355

IUPACN-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1snnc1CC
InChIInChI=1S/C13H18N4S/c1-4-11-13(18-17-16-11)12(14-5-2)10-7-6-9(3)15-8-10/h6-8,12,14H,4-5H2,1-3H3
InChIKeyOCHVORGQLWCGIH-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.50
Rot. Bonds5

About N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 105146355) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID105146355
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1snnc1CC
InChIInChI=1S/C13H18N4S/c1-4-11-13(18-17-16-11)12(14-5-2)10-7-6-9(3)15-8-10/h6-8,12,14H,4-5H2,1-3H3
InChIKeyOCHVORGQLWCGIH-UHFFFAOYSA-N
XLogP2.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine 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

N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
CID 105172687
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105141158
N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 105104012
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
[(6-methyl-3-pyridinyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105305420
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 105172229
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 105146355) is N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1snnc1CC.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is OCHVORGQLWCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-4-11-13(18-17-16-11)12(14-5-2)10-7-6-9(3)15-8-10/h6-8,12,14H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105146355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).