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

C10H9ClFN3S — CID 167921955

IUPACN-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cc(CCNc2nncs2)ccc1Cl
InChIInChI=1S/C10H9ClFN3S/c11-8-2-1-7(5-9(8)12)3-4-13-10-15-14-6-16-10/h1-2,5-6H,3-4H2,(H,13,15)
InChIKeyRKIUEVBASWDQFE-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.99
Rot. Bonds4

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

N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 167921955) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID167921955
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cc(CCNc2nncs2)ccc1Cl
InChIInChI=1S/C10H9ClFN3S/c11-8-2-1-7(5-9(8)12)3-4-13-10-15-14-6-16-10/h1-2,5-6H,3-4H2,(H,13,15)
InChIKeyRKIUEVBASWDQFE-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 167921955) is N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is Fc1cc(CCNc2nncs2)ccc1Cl.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RKIUEVBASWDQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c11-8-2-1-7(5-9(8)12)3-4-13-10-15-14-6-16-10/h1-2,5-6H,3-4H2,(H,13,15).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.72 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 167921955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).