5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine

C5H6FN3S — CID 170262825

IUPAC5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc([C@@H]2C[C@@H]2F)s1
InChIInChI=1S/C5H6FN3S/c6-3-1-2(3)4-8-9-5(7)10-4/h2-3H,1H2,(H2,7,9)/t2-,3+/m1/s1
InChIKeySIYXQWYLWRZCTO-GBXIJSLDSA-N
MW159.19 g/mol
LogP0.95
Rot. Bonds1

About 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine

5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine (PubChem CID 170262825) has the molecular formula C5H6FN3S and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine
PubChem CID170262825
Molecular FormulaC5H6FN3S
Molecular Weight159.19 g/mol
Exact Mass159.03
IUPAC Name5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc([C@@H]2C[C@@H]2F)s1
InChIInChI=1S/C5H6FN3S/c6-3-1-2(3)4-8-9-5(7)10-4/h2-3H,1H2,(H2,7,9)/t2-,3+/m1/s1
InChIKeySIYXQWYLWRZCTO-GBXIJSLDSA-N
XLogP0.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine (CID 170262825) is 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine is Nc1nnc([C@@H]2C[C@@H]2F)s1.
What is the InChIKey of 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SIYXQWYLWRZCTO-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H6FN3S/c6-3-1-2(3)4-8-9-5(7)10-4/h2-3H,1H2,(H2,7,9)/t2-,3+/m1/s1.
What are the key properties of 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine?
5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 159.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 170262825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).