N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine

C7H10FN3S — CID 131185858

IUPACN-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1ncns1
InChIInChI=1S/C7H10FN3S/c8-5-2-1-3-6(5)11-7-9-4-10-12-7/h4-6H,1-3H2,(H,9,10,11)/t5-,6+/m1/s1
InChIKeyIIJWVJRTHYTMCB-RITPCOANSA-N
MW187.24 g/mol
LogP1.84
Rot. Bonds2

About N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine

N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine (PubChem CID 131185858) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine
PubChem CID131185858
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC NameN-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine
SMILESF[C@@H]1CCC[C@@H]1Nc1ncns1
InChIInChI=1S/C7H10FN3S/c8-5-2-1-3-6(5)11-7-9-4-10-12-7/h4-6H,1-3H2,(H,9,10,11)/t5-,6+/m1/s1
InChIKeyIIJWVJRTHYTMCB-RITPCOANSA-N
XLogP1.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine (CID 131185858) is N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine is F[C@@H]1CCC[C@@H]1Nc1ncns1.
What is the InChIKey of N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IIJWVJRTHYTMCB-RITPCOANSA-N. The full InChI is InChI=1S/C7H10FN3S/c8-5-2-1-3-6(5)11-7-9-4-10-12-7/h4-6H,1-3H2,(H,9,10,11)/t5-,6+/m1/s1.
What are the key properties of N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine?
N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 187.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-fluorocyclopentyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131185858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).