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

C10H9F2N3S — CID 65273852

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFc1cc(F)cc(CCNc2ncns2)c1
InChIInChI=1S/C10H9F2N3S/c11-8-3-7(4-9(12)5-8)1-2-13-10-14-6-15-16-10/h3-6H,1-2H2,(H,13,14,15)
InChIKeyIOEAMJPRYAXSHT-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.47
Rot. Bonds4

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

N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65273852) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65273852
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFc1cc(F)cc(CCNc2ncns2)c1
InChIInChI=1S/C10H9F2N3S/c11-8-3-7(4-9(12)5-8)1-2-13-10-14-6-15-16-10/h3-6H,1-2H2,(H,13,14,15)
InChIKeyIOEAMJPRYAXSHT-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65273852) is N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine is Fc1cc(F)cc(CCNc2ncns2)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IOEAMJPRYAXSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c11-8-3-7(4-9(12)5-8)1-2-13-10-14-6-15-16-10/h3-6H,1-2H2,(H,13,14,15).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 241.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).