2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine

C17H25N3S — CID 105100882

IUPAC2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cc(C)ccc1C)NCC
InChIInChI=1S/C17H25N3S/c1-5-7-15-17(21-20-19-15)16(18-6-2)11-14-10-12(3)8-9-13(14)4/h8-10,16,18H,5-7,11H2,1-4H3
InChIKeyRMWIBQRJOQBNGD-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.00
Rot. Bonds7

About 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine

2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105100882) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105100882
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cc(C)ccc1C)NCC
InChIInChI=1S/C17H25N3S/c1-5-7-15-17(21-20-19-15)16(18-6-2)11-14-10-12(3)8-9-13(14)4/h8-10,16,18H,5-7,11H2,1-4H3
InChIKeyRMWIBQRJOQBNGD-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.00
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 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105100882) is 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1cc(C)ccc1C)NCC.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is RMWIBQRJOQBNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-7-15-17(21-20-19-15)16(18-6-2)11-14-10-12(3)8-9-13(14)4/h8-10,16,18H,5-7,11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 303.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105100882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).