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

C11H18N4OS — CID 65276354

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)(C)c1nsc(NC2CCCNC2=O)n1
InChIInChI=1S/C11H18N4OS/c1-11(2,3)9-14-10(17-15-9)13-7-5-4-6-12-8(7)16/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeySNPDASAEQRXIPL-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.53
Rot. Bonds2

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

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 65276354) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID65276354
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)(C)c1nsc(NC2CCCNC2=O)n1
InChIInChI=1S/C11H18N4OS/c1-11(2,3)9-14-10(17-15-9)13-7-5-4-6-12-8(7)16/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeySNPDASAEQRXIPL-UHFFFAOYSA-N
XLogP1.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.53
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
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 96979437
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 128850107
(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 164639020
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304893
5-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304953

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 65276354) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is CC(C)(C)c1nsc(NC2CCCNC2=O)n1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is SNPDASAEQRXIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-11(2,3)9-14-10(17-15-9)13-7-5-4-6-12-8(7)16/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 254.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 65276354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).