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

C12H13F2N3S — CID 82823097

IUPAC4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1c(F)ccc(C)c1F
InChIInChI=1S/C12H13F2N3S/c1-3-6-15-12-11(16-18-17-12)9-8(13)5-4-7(2)10(9)14/h4-5H,3,6H2,1-2H3,(H,15,17)
InChIKeyMXCVUTKJCGQVGN-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.61
Rot. Bonds4

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

4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine (PubChem CID 82823097) has the molecular formula C12H13F2N3S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
PubChem CID82823097
Molecular FormulaC12H13F2N3S
Molecular Weight269.32 g/mol
Exact Mass269.08
IUPAC Name4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
SMILESCCCNc1nsnc1-c1c(F)ccc(C)c1F
InChIInChI=1S/C12H13F2N3S/c1-3-6-15-12-11(16-18-17-12)9-8(13)5-4-7(2)10(9)14/h4-5H,3,6H2,1-2H3,(H,15,17)
InChIKeyMXCVUTKJCGQVGN-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-difluoro-3-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 82823181
4-(3-bromo-2-fluorophenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 106646781
3-chloro-4-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazole
CID 82823092
4-(2-methylthiophen-3-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 102838564
4-(4-cyclobutylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 116506918
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428
3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine
CID 107514569
5,6,7-trifluoro-3-methyl-N-propylquinolin-2-amine
CID 63232523
4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
CID 82820361
4-(3-phenyltriazol-4-yl)-N-propyl-1,2,5-thiadiazol-3-amine
CID 114691001
6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115504536

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine (CID 82823097) is 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine is CCCNc1nsnc1-c1c(F)ccc(C)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
The InChIKey is MXCVUTKJCGQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S/c1-3-6-15-12-11(16-18-17-12)9-8(13)5-4-7(2)10(9)14/h4-5H,3,6H2,1-2H3,(H,15,17).
What are the key properties of 4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine?
4-(2,6-difluoro-3-methylphenyl)-N-propyl-1,2,5-thiadiazol-3-amine has a molecular weight of 269.32 g/mol, XLogP of 3.61, 4 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-propyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 82823097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).