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

C10H16N4OS — CID 65276409

IUPAC3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCCCc1nsc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-2-4-8-13-10(16-14-8)12-7-5-3-6-11-9(7)15/h7H,2-6H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyNGEBHFXXYLXEAG-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.18
Rot. Bonds4

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

3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (PubChem CID 65276409) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
PubChem CID65276409
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
SMILESCCCc1nsc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-2-4-8-13-10(16-14-8)12-7-5-3-6-11-9(7)15/h7H,2-6H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyNGEBHFXXYLXEAG-UHFFFAOYSA-N
XLogP1.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
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
(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
(5S)-3-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 97027355
(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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one (CID 65276409) is 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is CCCc1nsc(NC2CCCNC2=O)n1.
What is the InChIKey of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
The InChIKey is NGEBHFXXYLXEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-4-8-13-10(16-14-8)12-7-5-3-6-11-9(7)15/h7H,2-6H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one?
3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one is sourced from PubChem (CID 65276409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).