N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine

C15H21N3S — CID 105101683

IUPACN-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1cnns1
InChIInChI=1S/C15H21N3S/c1-3-9-16-14(15-11-17-18-19-15)10-13-7-5-12(4-2)6-8-13/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyWKCCESKLVXCYFD-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105101683) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105101683
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1cnns1
InChIInChI=1S/C15H21N3S/c1-3-9-16-14(15-11-17-18-19-15)10-13-7-5-12(4-2)6-8-13/h5-8,11,14,16H,3-4,9-10H2,1-2H3
InChIKeyWKCCESKLVXCYFD-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105087093
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105111613
3-(4-methoxyphenyl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152291
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105139842
[2-(4-methylphenyl)-1-(thiadiazol-5-yl)ethyl]hydrazine
CID 105284186
N-[2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105180640
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960
N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711
N-[2-(4-ethylphenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105101589
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152125

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine (CID 105101683) is N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cc1)c1cnns1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is WKCCESKLVXCYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-9-16-14(15-11-17-18-19-15)10-13-7-5-12(4-2)6-8-13/h5-8,11,14,16H,3-4,9-10H2,1-2H3.
What are the key properties of N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105101683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).