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

C8H4Cl2FN3S — CID 107530583

IUPAC4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1ccc(Cl)c(Nc2nsnc2Cl)c1
InChIInChI=1S/C8H4Cl2FN3S/c9-5-2-1-4(11)3-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14)
InChIKeyCFVBJYDZXYVZHW-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.73
Rot. Bonds2

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

4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 107530583) has the molecular formula C8H4Cl2FN3S and a molecular weight of 264.11 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
PubChem CID107530583
Molecular FormulaC8H4Cl2FN3S
Molecular Weight264.11 g/mol
Exact Mass262.95
IUPAC Name4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
SMILESFc1ccc(Cl)c(Nc2nsnc2Cl)c1
InChIInChI=1S/C8H4Cl2FN3S/c9-5-2-1-4(11)3-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14)
InChIKeyCFVBJYDZXYVZHW-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808139
N-(2-bromo-4-fluorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 43808120
4-chloro-N-(2,3,5-trifluorophenyl)-1,2,5-thiadiazol-3-amine
CID 62813440
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
4-chloro-N-(2-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808189
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513
4-chloro-N-(2,3-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 61075065
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
CID 107526804
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine (CID 107530583) is 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine is Fc1ccc(Cl)c(Nc2nsnc2Cl)c1.
What is the InChIKey of 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is CFVBJYDZXYVZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN3S/c9-5-2-1-4(11)3-6(5)12-8-7(10)13-15-14-8/h1-3H,(H,12,14).
What are the key properties of 4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 264.11 g/mol, XLogP of 3.73, 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-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 107530583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).