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

C10H9ClFN3S — CID 60726154

IUPAC4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine
SMILESCC(Nc1nsnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C10H9ClFN3S/c1-6(7-2-4-8(12)5-3-7)13-10-9(11)14-16-15-10/h2-6H,1H3,(H,13,15)
InChIKeyVCXGUFSYLRVTCB-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.50
Rot. Bonds3

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

4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine (PubChem CID 60726154) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine
PubChem CID60726154
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine
SMILESCC(Nc1nsnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C10H9ClFN3S/c1-6(7-2-4-8(12)5-3-7)13-10-9(11)14-16-15-10/h2-6H,1H3,(H,13,15)
InChIKeyVCXGUFSYLRVTCB-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine (CID 60726154) is 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine is CC(Nc1nsnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is VCXGUFSYLRVTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c1-6(7-2-4-8(12)5-3-7)13-10-9(11)14-16-15-10/h2-6H,1H3,(H,13,15).
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 257.72 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 60726154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).