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

C13H14F3N3OS — CID 105145860

IUPACN-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1snnc1C
InChIInChI=1S/C13H14F3N3OS/c1-3-17-11(12-8(2)18-19-21-12)9-5-4-6-10(7-9)20-13(14,15)16/h4-7,11,17H,3H2,1-2H3
InChIKeyGIGBQYROEQQDCK-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.44
Rot. Bonds5

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

N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 105145860) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID105145860
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC NameN-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1snnc1C
InChIInChI=1S/C13H14F3N3OS/c1-3-17-11(12-8(2)18-19-21-12)9-5-4-6-10(7-9)20-13(14,15)16/h4-7,11,17H,3H2,1-2H3
InChIKeyGIGBQYROEQQDCK-UHFFFAOYSA-N
XLogP3.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 104805493
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 62917910
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
[(3-ethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105327992
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 105145906
N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 105145860) is N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1cccc(OC(F)(F)F)c1)c1snnc1C.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is GIGBQYROEQQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-3-17-11(12-8(2)18-19-21-12)9-5-4-6-10(7-9)20-13(14,15)16/h4-7,11,17H,3H2,1-2H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 317.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 105145860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).