N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

C16H23N3S — CID 105121449

IUPACN-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1ccc(CC)cc1
InChIInChI=1S/C16H23N3S/c1-4-7-14-16(20-19-18-14)15(17-6-3)13-10-8-12(5-2)9-11-13/h8-11,15,17H,4-7H2,1-3H3
InChIKeyCEFSKGSIYQXREP-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.75
Rot. Bonds7

About N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine

N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 105121449) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
PubChem CID105121449
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
SMILESCCCc1nnsc1C(NCC)c1ccc(CC)cc1
InChIInChI=1S/C16H23N3S/c1-4-7-14-16(20-19-18-14)15(17-6-3)13-10-8-12(5-2)9-11-13/h8-11,15,17H,4-7H2,1-3H3
InChIKeyCEFSKGSIYQXREP-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
N-[(4-ethylthiadiazol-5-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 105146355
N-[(4-ethylthiadiazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 105092612
N-[(2,5-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105143839
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105141158
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-[(5-ethoxy-3-pyridinyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105175460
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105168867
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
N-[(4-ethylthiadiazol-5-yl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 105104012

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine (CID 105121449) is N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is CCCc1nnsc1C(NCC)c1ccc(CC)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is CEFSKGSIYQXREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-7-14-16(20-19-18-14)15(17-6-3)13-10-8-12(5-2)9-11-13/h8-11,15,17H,4-7H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine?
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 289.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105121449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).