2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

C16H23N3S — CID 105101333

IUPAC2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccc(CC)cc1)NC
InChIInChI=1S/C16H23N3S/c1-4-6-14-16(20-19-18-14)15(17-3)11-13-9-7-12(5-2)8-10-13/h7-10,15,17H,4-6,11H2,1-3H3
InChIKeyQGNPVSYYFWWDMU-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105101333) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105101333
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccc(CC)cc1)NC
InChIInChI=1S/C16H23N3S/c1-4-6-14-16(20-19-18-14)15(17-3)11-13-9-7-12(5-2)8-10-13/h7-10,15,17H,4-6,11H2,1-3H3
InChIKeyQGNPVSYYFWWDMU-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105177552
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105114391
2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105168864
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105168867
2-(2,5-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105151334
2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 107312365
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 103043506

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105101333) is 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1ccc(CC)cc1)NC.
What is the InChIKey of 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is QGNPVSYYFWWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-6-14-16(20-19-18-14)15(17-3)11-13-9-7-12(5-2)8-10-13/h7-10,15,17H,4-6,11H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105101333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).