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

C10H16N4OS — CID 65276356

IUPAC3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)c1nsc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)8-13-10(16-14-8)12-7-4-3-5-11-9(7)15/h6-7H,3-5H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyBBWKCYDUNXYSMM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.35
Rot. Bonds3

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

3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 65276356) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID65276356
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCC(C)c1nsc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)8-13-10(16-14-8)12-7-4-3-5-11-9(7)15/h6-7H,3-5H2,1-2H3,(H,11,15)(H,12,13,14)
InChIKeyBBWKCYDUNXYSMM-UHFFFAOYSA-N
XLogP1.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44455959
[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44455961
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
CID 44455993
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
N-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 75377037
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
Cyclopentyl-[4-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]piperazin-1-yl]methanone
CID 84585889
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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 65276356) is 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is CC(C)c1nsc(NC2CCCNC2=O)n1.
What is the InChIKey of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is BBWKCYDUNXYSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6(2)8-13-10(16-14-8)12-7-4-3-5-11-9(7)15/h6-7H,3-5H2,1-2H3,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 65276356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).