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

C10H9ClFN3S — CID 105396164

IUPAC4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1cc(F)ccc1Cl
InChIInChI=1S/C10H9ClFN3S/c1-2-13-10-9(14-16-15-10)7-5-6(12)3-4-8(7)11/h3-5H,2H2,1H3,(H,13,15)
InChIKeyVGMOXYBCDLLWDN-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.43
Rot. Bonds3

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

4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine (PubChem CID 105396164) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
PubChem CID105396164
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC Name4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1cc(F)ccc1Cl
InChIInChI=1S/C10H9ClFN3S/c1-2-13-10-9(14-16-15-10)7-5-6(12)3-4-8(7)11/h3-5H,2H2,1H3,(H,13,15)
InChIKeyVGMOXYBCDLLWDN-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine (CID 105396164) is 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine is CCNc1nsnc1-c1cc(F)ccc1Cl.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The InChIKey is VGMOXYBCDLLWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c1-2-13-10-9(14-16-15-10)7-5-6(12)3-4-8(7)11/h3-5H,2H2,1H3,(H,13,15).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine has a molecular weight of 257.72 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-N-ethyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 105396164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).