3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole

C14H18N4S — CID 125423818

IUPAC3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC[C@H](c3ccccn3)C2)n1
InChIInChI=1S/C14H18N4S/c1-2-13-16-14(19-17-13)18-9-5-6-11(10-18)12-7-3-4-8-15-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyGSNCGGNVQILWRQ-NSHDSACASA-N
MW274.39 g/mol
LogP2.88
Rot. Bonds3

About 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 125423818) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole
PubChem CID125423818
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC[C@H](c3ccccn3)C2)n1
InChIInChI=1S/C14H18N4S/c1-2-13-16-14(19-17-13)18-9-5-6-11(10-18)12-7-3-4-8-15-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyGSNCGGNVQILWRQ-NSHDSACASA-N
XLogP2.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
5-[3-(2,6-difluorophenyl)pyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133480716
5-[3-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
2-[(3S)-3-pyridin-2-ylpiperidin-1-yl]pyrazine
CID 95817344
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylic acid
CID 5236137
N-[(4-aminopyrimidin-2-yl)methyl]-1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-methylazepan-4-amine
CID 128993373
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]pyridine-3-sulfonamide
CID 133334856
3-ethyl-5-[4-(4-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 133334887

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole (CID 125423818) is 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCC[C@H](c3ccccn3)C2)n1.
What is the InChIKey of 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is GSNCGGNVQILWRQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-13-16-14(19-17-13)18-9-5-6-11(10-18)12-7-3-4-8-15-12/h3-4,7-8,11H,2,5-6,9-10H2,1H3/t11-/m0/s1.
What are the key properties of 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 274.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 125423818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).