(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one

C12H18N4OS — CID 128850107

IUPAC(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1nc(C2CCCC2)ns1
InChIInChI=1S/C12H18N4OS/c17-11-9(6-3-7-13-11)14-12-15-10(16-18-12)8-4-1-2-5-8/h8-9H,1-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1
InChIKeyKUXQLAKNADKQDJ-VIFPVBQESA-N
MW266.37 g/mol
LogP1.89
Rot. Bonds3

About (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one

(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 128850107) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID128850107
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Nc1nc(C2CCCC2)ns1
InChIInChI=1S/C12H18N4OS/c17-11-9(6-3-7-13-11)14-12-15-10(16-18-12)8-4-1-2-5-8/h8-9H,1-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1
InChIKeyKUXQLAKNADKQDJ-VIFPVBQESA-N
XLogP1.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
Cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
CID 84585889
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 96979437
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
6-Cyclopropyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 126797900
(2R)-N-[2-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)-methylamino]ethyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 138007341
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304893
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 121664166
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 133495005
3-(2-Methylpropyl)-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 154736383
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
CID 70865084

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 128850107) is (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is O=C1NCCC[C@@H]1Nc1nc(C2CCCC2)ns1.
What is the InChIKey of (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is KUXQLAKNADKQDJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4OS/c17-11-9(6-3-7-13-11)14-12-15-10(16-18-12)8-4-1-2-5-8/h8-9H,1-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1.
What are the key properties of (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 266.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 128850107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).