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

C15H19ClFN3S — CID 103043506

IUPAC2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccc(F)c(Cl)c1)NCC
InChIInChI=1S/C15H19ClFN3S/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
InChIKeyLZIZQZUOQJHNRD-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.18
Rot. Bonds7

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

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 103043506) has the molecular formula C15H19ClFN3S and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID103043506
Molecular FormulaC15H19ClFN3S
Molecular Weight327.86 g/mol
Exact Mass327.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccc(F)c(Cl)c1)NCC
InChIInChI=1S/C15H19ClFN3S/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
InChIKeyLZIZQZUOQJHNRD-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105111357
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 106867932
N-[2-(3,4-difluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105176082
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 103043275
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 103040265
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103043281
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
2-(2,5-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105151334
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 103043506) is 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1ccc(F)c(Cl)c1)NCC.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is LZIZQZUOQJHNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3S/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-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 327.86 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 103043506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).