N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

C11H11F2N3S — CID 105145630

IUPACN-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cnsn1
InChIInChI=1S/C11H11F2N3S/c1-2-14-11(10-6-15-17-16-10)7-3-4-8(12)9(13)5-7/h3-6,11,14H,2H2,1H3
InChIKeyGAEKAIXEUFNIKZ-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.52
Rot. Bonds4

About N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine

N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (PubChem CID 105145630) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
PubChem CID105145630
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC NameN-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(F)c1)c1cnsn1
InChIInChI=1S/C11H11F2N3S/c1-2-14-11(10-6-15-17-16-10)7-3-4-8(12)9(13)5-7/h3-6,11,14H,2H2,1H3
InChIKeyGAEKAIXEUFNIKZ-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105145535
N-[(3,4-diethoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105143439
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105146743
N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105141684
N-[(4-bromo-3,5-dimethylphenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 114330705
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 103053015
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107129020
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 61331630
N-[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141468
N-[(2,5-dibromothiophen-3-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43493210

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine (CID 105145630) is N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is CCNC(c1ccc(F)c(F)c1)c1cnsn1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
The InChIKey is GAEKAIXEUFNIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-2-14-11(10-6-15-17-16-10)7-3-4-8(12)9(13)5-7/h3-6,11,14H,2H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine?
N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine has a molecular weight of 255.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 105145630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).