N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine

C16H17N3S — CID 105141334

IUPACN-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1snnc1C)c1cccc2ccccc12
InChIInChI=1S/C16H17N3S/c1-3-17-15(16-11(2)18-19-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,3H2,1-2H3
InChIKeyAUBYALNPFJNICM-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.70
Rot. Bonds4

About N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine

N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine (PubChem CID 105141334) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
PubChem CID105141334
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1snnc1C)c1cccc2ccccc12
InChIInChI=1S/C16H17N3S/c1-3-17-15(16-11(2)18-19-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,3H2,1-2H3
InChIKeyAUBYALNPFJNICM-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[isoquinolin-8-yl-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 103137746
N-[2,3-dihydro-1-benzofuran-7-yl-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105189397
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105141285
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(3-fluoro-4-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 107130257
N-[(3-cyclopropyloxyphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105188592
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788
N-[(2,5-dichlorothiophen-3-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43493136

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine (CID 105141334) is N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine is CCNC(c1snnc1C)c1cccc2ccccc12.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine?
The InChIKey is AUBYALNPFJNICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-17-15(16-11(2)18-19-20-16)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15,17H,3H2,1-2H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine?
N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine is sourced from PubChem (CID 105141334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).