N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine

C16H23N3S — CID 105101103

IUPACN-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1snnc1C
InChIInChI=1S/C16H23N3S/c1-5-8-17-15(16-13(4)18-19-20-16)10-14-9-11(2)6-7-12(14)3/h6-7,9,15,17H,5,8,10H2,1-4H3
InChIKeyYSHGVJIVBVQGLQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105101103) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105101103
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)ccc1C)c1snnc1C
InChIInChI=1S/C16H23N3S/c1-5-8-17-15(16-13(4)18-19-20-16)10-14-9-11(2)6-7-12(14)3/h6-7,9,15,17H,5,8,10H2,1-4H3
InChIKeyYSHGVJIVBVQGLQ-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
CID 24816387
(1S)-N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine
CID 100024156
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209008
N-[[4-(2,5-difluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209009
N-[[4-(4-fluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209065
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209076
N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65209129
N-[[4-(4-fluorophenyl)thiadiazol-5-yl]methyl]propan-1-amine
CID 65209175
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65209185
N-[[4-(2-fluorophenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65209186
N-[[4-(4-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209337
N-[[4-(3-fluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine (CID 105101103) is N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)ccc1C)c1snnc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is YSHGVJIVBVQGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-5-8-17-15(16-13(4)18-19-20-16)10-14-9-11(2)6-7-12(14)3/h6-7,9,15,17H,5,8,10H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105101103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).