4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one

C10H16N4OS — CID 136532398

IUPAC4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCC(C)Cc1nsc(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H16N4OS/c1-7(2)5-8-12-10(16-13-8)14-4-3-11-9(15)6-14/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyFBBQMMFLXVYKAH-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.67
Rot. Bonds3

About 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one

4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (PubChem CID 136532398) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
PubChem CID136532398
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCC(C)Cc1nsc(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H16N4OS/c1-7(2)5-8-12-10(16-13-8)14-4-3-11-9(15)6-14/h7H,3-6H2,1-2H3,(H,11,15)
InChIKeyFBBQMMFLXVYKAH-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62750906
5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133493059
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133491255
3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133493081
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
4-(1,2,4-thiadiazol-5-yl)piperazin-2-one
CID 130692977
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 62750903
(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 124508353
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
CID 133485154
4-[5-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62751583
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848
4-[5-(1-aminoethyl)-1,3-thiazol-2-yl]-1,4-diazepan-2-one
CID 65366601

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The IUPAC name of 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (CID 136532398) is 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is CC(C)Cc1nsc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The InChIKey is FBBQMMFLXVYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(2)5-8-12-10(16-13-8)14-4-3-11-9(15)6-14/h7H,3-6H2,1-2H3,(H,11,15).
What are the key properties of 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 136532398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).