N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine

C12H14FN3S2 — CID 43286419

IUPACN-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1nncs1
InChIInChI=1S/C12H14FN3S2/c1-3-14-8(2)11-9(13)5-4-6-10(11)18-12-16-15-7-17-12/h4-8,14H,3H2,1-2H3
InChIKeyAXTGHPCUICOEGP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.50
Rot. Bonds5

About N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine

N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine (PubChem CID 43286419) has the molecular formula C12H14FN3S2 and a molecular weight of 283.40 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
PubChem CID43286419
Molecular FormulaC12H14FN3S2
Molecular Weight283.40 g/mol
Exact Mass283.06
IUPAC NameN-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1nncs1
InChIInChI=1S/C12H14FN3S2/c1-3-14-8(2)11-9(13)5-4-6-10(11)18-12-16-15-7-17-12/h4-8,14H,3H2,1-2H3
InChIKeyAXTGHPCUICOEGP-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine (CID 43286419) is N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine is CCNC(C)c1c(F)cccc1Sc1nncs1.
What is the InChIKey of N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
The InChIKey is AXTGHPCUICOEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S2/c1-3-14-8(2)11-9(13)5-4-6-10(11)18-12-16-15-7-17-12/h4-8,14H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 43286419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).