3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine

C8H5F2N3S — CID 43658693

IUPAC3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc(F)c(F)c2)ns1
InChIInChI=1S/C8H5F2N3S/c9-5-2-1-4(3-6(5)10)7-12-8(11)14-13-7/h1-3H,(H2,11,12,13)
InChIKeyRKGVBHUQKASHMQ-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.07
Rot. Bonds1

About 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine

3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 43658693) has the molecular formula C8H5F2N3S and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine
PubChem CID43658693
Molecular FormulaC8H5F2N3S
Molecular Weight213.21 g/mol
Exact Mass213.02
IUPAC Name3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc(F)c(F)c2)ns1
InChIInChI=1S/C8H5F2N3S/c9-5-2-1-4(3-6(5)10)7-12-8(11)14-13-7/h1-3H,(H2,11,12,13)
InChIKeyRKGVBHUQKASHMQ-UHFFFAOYSA-N
XLogP2.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine (CID 43658693) is 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ccc(F)c(F)c2)ns1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RKGVBHUQKASHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3S/c9-5-2-1-4(3-6(5)10)7-12-8(11)14-13-7/h1-3H,(H2,11,12,13).
What are the key properties of 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine?
3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 43658693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).