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

C14H22N4O2S — CID 133390727

IUPAC1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCOCc1nsc(N2CCN(CC3CCCC3)C(=O)C2)n1
InChIInChI=1S/C14H22N4O2S/c1-20-10-12-15-14(21-16-12)18-7-6-17(13(19)9-18)8-11-4-2-3-5-11/h11H,2-10H2,1H3
InChIKeyWPMAQOQMIOVPOI-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.52
Rot. Bonds5

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

1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (PubChem CID 133390727) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
PubChem CID133390727
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
SMILESCOCc1nsc(N2CCN(CC3CCCC3)C(=O)C2)n1
InChIInChI=1S/C14H22N4O2S/c1-20-10-12-15-14(21-16-12)18-7-6-17(13(19)9-18)8-11-4-2-3-5-11/h11H,2-10H2,1H3
InChIKeyWPMAQOQMIOVPOI-UHFFFAOYSA-N
XLogP1.52
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
cyclopropyl-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 133499006
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390902
5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 97329516
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235
1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
CID 154830337
1-[(2,4-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 171328558
1-[(2,5-difluorophenyl)methyl]-4-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 171324181
7-fluoro-3-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]quinazolin-4-one
CID 146079957
1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462020
5-[4-(2-chlorophenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133352086
3-(methoxymethyl)-5-[(3S)-3-(5-methylthiophen-3-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 124735975

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one (CID 133390727) is 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is COCc1nsc(N2CCN(CC3CCCC3)C(=O)C2)n1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
The InChIKey is WPMAQOQMIOVPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-20-10-12-15-14(21-16-12)18-7-6-17(13(19)9-18)8-11-4-2-3-5-11/h11H,2-10H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one?
1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one has a molecular weight of 310.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 133390727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).