N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine

C13H17N3S — CID 105094073

IUPACN-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1snnc1C
InChIInChI=1S/C13H17N3S/c1-10-13(17-16-15-10)12(14-2)9-8-11-6-4-3-5-7-11/h3-7,12,14H,8-9H2,1-2H3
InChIKeyPIGZNZHRCFAODY-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine

N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine (PubChem CID 105094073) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
PubChem CID105094073
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1snnc1C
InChIInChI=1S/C13H17N3S/c1-10-13(17-16-15-10)12(14-2)9-8-11-6-4-3-5-7-11/h3-7,12,14H,8-9H2,1-2H3
InChIKeyPIGZNZHRCFAODY-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-phenyl-1-(4-propan-2-ylthiadiazol-5-yl)propan-1-amine
CID 105094228
N-methyl-1-(4-methylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150256
[1-(4-methylthiadiazol-5-yl)-2-phenylethyl]hydrazine
CID 105283044
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153409
2-(4-bromophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105089102
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
[2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105285141
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-methyl-1-(1-methylindazol-3-yl)-3-phenylpropan-1-amine
CID 103126196
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine (CID 105094073) is N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1snnc1C.
What is the InChIKey of N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine?
The InChIKey is PIGZNZHRCFAODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-13(17-16-15-10)12(14-2)9-8-11-6-4-3-5-7-11/h3-7,12,14H,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine?
N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine has a molecular weight of 247.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiadiazol-5-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 105094073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).