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

C10H16N4OS — CID 96979437

IUPAC(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1nsc(N[C@H]2CCC(=O)N(C)C2)n1
InChIInChI=1S/C10H16N4OS/c1-3-8-12-10(16-13-8)11-7-4-5-9(15)14(2)6-7/h7H,3-6H2,1-2H3,(H,11,12,13)/t7-/m0/s1
InChIKeyHJYFSSIBEPMOKA-ZETCQYMHSA-N
MW240.33 g/mol
LogP1.13
Rot. Bonds3

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

(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one (PubChem CID 96979437) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
PubChem CID96979437
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1nsc(N[C@H]2CCC(=O)N(C)C2)n1
InChIInChI=1S/C10H16N4OS/c1-3-8-12-10(16-13-8)11-7-4-5-9(15)14(2)6-7/h7H,3-6H2,1-2H3,(H,11,12,13)/t7-/m0/s1
InChIKeyHJYFSSIBEPMOKA-ZETCQYMHSA-N
XLogP1.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
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
1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924183
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
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one (CID 96979437) is (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one is CCc1nsc(N[C@H]2CCC(=O)N(C)C2)n1.
What is the InChIKey of (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is HJYFSSIBEPMOKA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-8-12-10(16-13-8)11-7-4-5-9(15)14(2)6-7/h7H,3-6H2,1-2H3,(H,11,12,13)/t7-/m0/s1.
What are the key properties of (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one?
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 96979437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).