cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone

C15H23N5O2S — CID 120959261

IUPACcyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone
SMILESCN1CCNCC1c1noc(C2CSCN2C(=O)C2CCC2)n1
InChIInChI=1S/C15H23N5O2S/c1-19-6-5-16-7-11(19)13-17-14(22-18-13)12-8-23-9-20(12)15(21)10-3-2-4-10/h10-12,16H,2-9H2,1H3
InChIKeyJPJRNVZZVXRQTC-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.02
Rot. Bonds3

About cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone

cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 120959261) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone
PubChem CID120959261
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Namecyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone
SMILESCN1CCNCC1c1noc(C2CSCN2C(=O)C2CCC2)n1
InChIInChI=1S/C15H23N5O2S/c1-19-6-5-16-7-11(19)13-17-14(22-18-13)12-8-23-9-20(12)15(21)10-3-2-4-10/h10-12,16H,2-9H2,1H3
InChIKeyJPJRNVZZVXRQTC-UHFFFAOYSA-N
XLogP1.02
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone (CID 120959261) is cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone is CN1CCNCC1c1noc(C2CSCN2C(=O)C2CCC2)n1.
What is the InChIKey of cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is JPJRNVZZVXRQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-19-6-5-16-7-11(19)13-17-14(22-18-13)12-8-23-9-20(12)15(21)10-3-2-4-10/h10-12,16H,2-9H2,1H3.
What are the key properties of cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone?
cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 337.45 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 120959261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).