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

C11H11F2N3S — CID 105175945

IUPAC2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1csnn1
InChIInChI=1S/C11H11F2N3S/c1-14-10(11-6-17-16-15-11)5-7-2-3-8(12)9(13)4-7/h2-4,6,10,14H,5H2,1H3
InChIKeyYMMSVMPZIHHZPM-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.32
Rot. Bonds4

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

2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105175945) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID105175945
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(F)c(F)c1)c1csnn1
InChIInChI=1S/C11H11F2N3S/c1-14-10(11-6-17-16-15-11)5-7-2-3-8(12)9(13)4-7/h2-4,6,10,14H,5H2,1H3
InChIKeyYMMSVMPZIHHZPM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105095616
2-(3,4-dimethylphenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105109451
2-(3-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105085776
N-methyl-2-pyridin-4-yl-1-(thiadiazol-4-yl)ethanamine
CID 105160535
N-[2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105111380
2-(2,4-dichlorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105132366
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
2-(3,4-difluorophenyl)-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 104991463
2-(3,4-difluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 82923273
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105135916
N-methyl-2-(2-methylphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105091515
1-(2-chloro-4,5-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 107476269

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine (CID 105175945) is 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is CNC(Cc1ccc(F)c(F)c1)c1csnn1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is YMMSVMPZIHHZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-14-10(11-6-17-16-15-11)5-7-2-3-8(12)9(13)4-7/h2-4,6,10,14H,5H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine?
2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 255.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105175945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).