3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole

C10H14FN3S — CID 129349568

IUPAC3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
SMILESF[C@@H]1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H14FN3S/c11-8-2-1-5-14(6-8)10-12-9(13-15-10)7-3-4-7/h7-8H,1-6H2/t8-/m1/s1
InChIKeyGWGALEKVLGYEPH-MRVPVSSYSA-N
MW227.31 g/mol
LogP2.35
Rot. Bonds2

About 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 129349568) has the molecular formula C10H14FN3S and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
PubChem CID129349568
Molecular FormulaC10H14FN3S
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Name3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
SMILESF[C@@H]1CCCN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H14FN3S/c11-8-2-1-5-14(6-8)10-12-9(13-15-10)7-3-4-7/h7-8H,1-6H2/t8-/m1/s1
InChIKeyGWGALEKVLGYEPH-MRVPVSSYSA-N
XLogP2.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
CID 65276256
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
CID 121184656
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 71923656
N-[(3S)-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 97097853
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800065
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
3-cyclohexyl-5-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164630168
3-cyclohexyl-5-[3-(methylsulfonylmethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 128850076
3-cyclopropyl-5-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 75375798
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961737

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole (CID 129349568) is 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole is F[C@@H]1CCCN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is GWGALEKVLGYEPH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14FN3S/c11-8-2-1-5-14(6-8)10-12-9(13-15-10)7-3-4-7/h7-8H,1-6H2/t8-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 227.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 129349568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).