N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine

C13H17N3S — CID 105090650

IUPACN-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1snnc1C
InChIInChI=1S/C13H17N3S/c1-4-14-12(13-10(3)15-16-17-13)11-7-5-6-9(2)8-11/h5-8,12,14H,4H2,1-3H3
InChIKeyNAVJMIURARNQQZ-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.85
Rot. Bonds4

About N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine

N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105090650) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105090650
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1snnc1C
InChIInChI=1S/C13H17N3S/c1-4-14-12(13-10(3)15-16-17-13)11-7-5-6-9(2)8-11/h5-8,12,14H,4H2,1-3H3
InChIKeyNAVJMIURARNQQZ-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-[(3-methylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methyl]propan-1-amine
CID 105090721
N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
CID 105141334
[(3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105284851
N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
N-[(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 106883650
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 105090650) is N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1snnc1C.
What is the InChIKey of N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is NAVJMIURARNQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-14-12(13-10(3)15-16-17-13)11-7-5-6-9(2)8-11/h5-8,12,14H,4H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine?
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105090650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).