5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine

C9H8BrFN4S — CID 66281183

IUPAC5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C9H8BrFN4S/c10-7-2-1-6(11)3-5(7)4-13-9-14-8(12)15-16-9/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyQRLQAFWUWBQNEM-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.63
Rot. Bonds3

About 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66281183) has the molecular formula C9H8BrFN4S and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66281183
Molecular FormulaC9H8BrFN4S
Molecular Weight303.16 g/mol
Exact Mass301.96
IUPAC Name5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C9H8BrFN4S/c10-7-2-1-6(11)3-5(7)4-13-9-14-8(12)15-16-9/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyQRLQAFWUWBQNEM-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine 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-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271474
N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 55154443
4-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2,4-diamine
CID 113368317
N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913562
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304955
N-[(2-bromo-5-fluorophenyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115354999
1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
CID 112686127
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine (CID 66281183) is 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCc2cc(F)ccc2Br)n1.
What is the InChIKey of 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is QRLQAFWUWBQNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4S/c10-7-2-1-6(11)3-5(7)4-13-9-14-8(12)15-16-9/h1-3H,4H2,(H3,12,13,14,15).
What are the key properties of 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 303.16 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66281183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).