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

C10H9F2N3S — CID 105145535

IUPAC1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1ccc(F)c(F)c1)c1cnsn1
InChIInChI=1S/C10H9F2N3S/c1-13-10(9-5-14-16-15-9)6-2-3-7(11)8(12)4-6/h2-5,10,13H,1H3
InChIKeyUXFFFFHRMBOXHN-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.13
Rot. Bonds3

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

1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105145535) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105145535
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1ccc(F)c(F)c1)c1cnsn1
InChIInChI=1S/C10H9F2N3S/c1-13-10(9-5-14-16-15-9)6-2-3-7(11)8(12)4-6/h2-5,10,13H,1H3
InChIKeyUXFFFFHRMBOXHN-UHFFFAOYSA-N
XLogP2.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105145630
1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62802022
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105171299
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105186439
N-methyl-1-(1-methylpyrazol-4-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105104228
1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 115374301
1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43484544
1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
1-(2,5-dimethylphenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105120137
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105145535) is 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is CNC(c1ccc(F)c(F)c1)c1cnsn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is UXFFFFHRMBOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-13-10(9-5-14-16-15-9)6-2-3-7(11)8(12)4-6/h2-5,10,13H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 241.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105145535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).