2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine

C15H19BrFN3S — CID 105111357

IUPAC2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccc(F)c(Br)c1)NCC
InChIInChI=1S/C15H19BrFN3S/c1-3-5-13-15(21-20-19-13)14(18-4-2)9-10-6-7-12(17)11(16)8-10/h6-8,14,18H,3-5,9H2,1-2H3
InChIKeyKTTZLHAMIOWXJM-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.29
Rot. Bonds7

About 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine

2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105111357) has the molecular formula C15H19BrFN3S and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105111357
Molecular FormulaC15H19BrFN3S
Molecular Weight372.31 g/mol
Exact Mass371.05
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccc(F)c(Br)c1)NCC
InChIInChI=1S/C15H19BrFN3S/c1-3-5-13-15(21-20-19-13)14(18-4-2)9-10-6-7-12(17)11(16)8-10/h6-8,14,18H,3-5,9H2,1-2H3
InChIKeyKTTZLHAMIOWXJM-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 103043506
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethyl]propan-1-amine
CID 105111613
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105168867
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115818820
2-(3-bromo-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 107968020
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105111357) is 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1ccc(F)c(Br)c1)NCC.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is KTTZLHAMIOWXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3S/c1-3-5-13-15(21-20-19-13)14(18-4-2)9-10-6-7-12(17)11(16)8-10/h6-8,14,18H,3-5,9H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 372.31 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105111357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).