1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine

C11H12FN3S3 — CID 114066362

IUPAC1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1c(F)cccc1Sc1nnc(SC)s1
InChIInChI=1S/C11H12FN3S3/c1-13-6-7-8(12)4-3-5-9(7)17-11-15-14-10(16-2)18-11/h3-5,13H,6H2,1-2H3
InChIKeyBYBYIKWZFTVHHY-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.27
Rot. Bonds5

About 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine

1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 114066362) has the molecular formula C11H12FN3S3 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
PubChem CID114066362
Molecular FormulaC11H12FN3S3
Molecular Weight301.44 g/mol
Exact Mass301.02
IUPAC Name1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1c(F)cccc1Sc1nnc(SC)s1
InChIInChI=1S/C11H12FN3S3/c1-13-6-7-8(12)4-3-5-9(7)17-11-15-14-10(16-2)18-11/h3-5,13H,6H2,1-2H3
InChIKeyBYBYIKWZFTVHHY-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine 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-ethyl-1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 115383100
5-[3-chloro-2-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55240188
N-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 115383871
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 115383909
1-[2-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114065001
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625
N-ethyl-1-[3-fluoro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 115383128
N-[[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 115383921
3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-nitro-N-propylaniline
CID 115384361
(1R)-1-[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-fluorophenyl]ethanol
CID 63814167
2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 115383928
2-(3-fluoro-2-nitrophenyl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 55100944

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (CID 114066362) is 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is CNCc1c(F)cccc1Sc1nnc(SC)s1.
What is the InChIKey of 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is BYBYIKWZFTVHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S3/c1-13-6-7-8(12)4-3-5-9(7)17-11-15-14-10(16-2)18-11/h3-5,13H,6H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 301.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114066362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).