1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

C11H11F2N3S — CID 107515323

IUPAC1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H11F2N3S/c1-6-3-4-7(10(13)9(6)12)11(14-2)8-5-15-16-17-8/h3-5,11,14H,1-2H3
InChIKeyHNSQJIFFJMLEFS-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.43
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (PubChem CID 107515323) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
PubChem CID107515323
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1ccc(C)c(F)c1F
InChIInChI=1S/C11H11F2N3S/c1-6-3-4-7(10(13)9(6)12)11(14-2)8-5-15-16-17-8/h3-5,11,14H,1-2H3
InChIKeyHNSQJIFFJMLEFS-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105142882
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
CID 130848665
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513386
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105143087
[(2,6-difluoro-3-methylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105330178
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105170095
[(4-fluoro-2-methylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105302396
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine
CID 107513783
1-(5-fluoro-3-pyridinyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105102667
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (CID 107515323) is 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is CNC(c1cnns1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The InChIKey is HNSQJIFFJMLEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-6-3-4-7(10(13)9(6)12)11(14-2)8-5-15-16-17-8/h3-5,11,14H,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine has a molecular weight of 255.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 107515323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).