4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine

C10H9F2N3S — CID 82823181

IUPAC4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1c(F)ccc(C)c1F
InChIInChI=1S/C10H9F2N3S/c1-5-3-4-6(11)7(8(5)12)9-10(13-2)15-16-14-9/h3-4H,1-2H3,(H,13,15)
InChIKeyLVOPWBJKWPGQDJ-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.83
Rot. Bonds2

About 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine

4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 82823181) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID82823181
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1c(F)ccc(C)c1F
InChIInChI=1S/C10H9F2N3S/c1-5-3-4-6(11)7(8(5)12)9-10(13-2)15-16-14-9/h3-4H,1-2H3,(H,13,15)
InChIKeyLVOPWBJKWPGQDJ-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 82823181) is 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine is CNc1nsnc1-c1c(F)ccc(C)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is LVOPWBJKWPGQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-5-3-4-6(11)7(8(5)12)9-10(13-2)15-16-14-9/h3-4H,1-2H3,(H,13,15).
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 241.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 82823181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).