4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine

C8H4ClF2N3S — CID 43808139

IUPAC4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1ccc(F)c(Nc2nsnc2Cl)c1
InChIInChI=1S/C8H4ClF2N3S/c9-7-8(14-15-13-7)12-6-3-4(10)1-2-5(6)11/h1-3H,(H,12,14)
InChIKeyAXKXMDRPKCFFGT-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 43808139) has the molecular formula C8H4ClF2N3S and a molecular weight of 247.66 g/mol. Its IUPAC name is 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
PubChem CID43808139
Molecular FormulaC8H4ClF2N3S
Molecular Weight247.66 g/mol
Exact Mass246.98
IUPAC Name4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1ccc(F)c(Nc2nsnc2Cl)c1
InChIInChI=1S/C8H4ClF2N3S/c9-7-8(14-15-13-7)12-6-3-4(10)1-2-5(6)11/h1-3H,(H,12,14)
InChIKeyAXKXMDRPKCFFGT-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 107530583
4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
CID 62813440
N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 43808120
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808189
3,6-dichloro-N-(2,5-difluorophenyl)-1,2,4-triazin-5-amine
CID 81036472
4-chloro-N-(2,3-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 61075065
6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
N-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068132
4-chloro-N-(2,6-difluoro-3-methylphenyl)-1,2,5-thiadiazol-3-amine
CID 82820361
4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
CID 83152683
N-(2-chlorophenyl)-2,5-difluoroaniline
CID 82536991

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine (CID 43808139) is 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine is Fc1ccc(F)c(Nc2nsnc2Cl)c1.
What is the InChIKey of 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is AXKXMDRPKCFFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N3S/c9-7-8(14-15-13-7)12-6-3-4(10)1-2-5(6)11/h1-3H,(H,12,14).
What are the key properties of 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 247.66 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43808139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).