N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine

C15H19F2N3S — CID 105176082

IUPACN-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)c1snnc1CC
InChIInChI=1S/C15H19F2N3S/c1-3-7-18-14(15-13(4-2)19-20-21-15)9-10-5-6-11(16)12(17)8-10/h5-6,8,14,18H,3-4,7,9H2,1-2H3
InChIKeyZNTIBQVHOAIUQM-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine

N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105176082) has the molecular formula C15H19F2N3S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
PubChem CID105176082
Molecular FormulaC15H19F2N3S
Molecular Weight311.40 g/mol
Exact Mass311.13
IUPAC NameN-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)c1snnc1CC
InChIInChI=1S/C15H19F2N3S/c1-3-7-18-14(15-13(4-2)19-20-21-15)9-10-5-6-11(16)12(17)8-10/h5-6,8,14,18H,3-4,7,9H2,1-2H3
InChIKeyZNTIBQVHOAIUQM-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
N-[2-(3,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 81163687
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 103043506
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105111357
N-[1-(4-ethylthiadiazol-5-yl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 105136145
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 82922563
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
1-(4-ethylthiadiazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 105127300
3-ethyl-1-(4-ethylthiadiazol-5-yl)-N-propylpentan-1-amine
CID 105176939
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327
1-(4-ethylthiadiazol-5-yl)-N-propyldecan-1-amine
CID 105124534

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine (CID 105176082) is N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)c(F)c1)c1snnc1CC.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ZNTIBQVHOAIUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3S/c1-3-7-18-14(15-13(4-2)19-20-21-15)9-10-5-6-11(16)12(17)8-10/h5-6,8,14,18H,3-4,7,9H2,1-2H3.
What are the key properties of N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine?
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 311.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105176082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).