N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide

C15H23N3O4S — CID 139516894

IUPACN'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide
SMILESO=C(CCCC(=O)NCC1CCC1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C15H23N3O4S/c19-12(16-7-8-18-14(21)10-23-15(18)22)5-2-6-13(20)17-9-11-3-1-4-11/h11H,1-10H2,(H,16,19)(H,17,20)
InChIKeyCWVAWVICNSNUEV-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.88
Rot. Bonds9

About N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide

N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide (PubChem CID 139516894) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide
PubChem CID139516894
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide
SMILESO=C(CCCC(=O)NCC1CCC1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C15H23N3O4S/c19-12(16-7-8-18-14(21)10-23-15(18)22)5-2-6-13(20)17-9-11-3-1-4-11/h11H,1-10H2,(H,16,19)(H,17,20)
InChIKeyCWVAWVICNSNUEV-UHFFFAOYSA-N
XLogP0.88
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide?
The IUPAC name of N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide (CID 139516894) is N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide.
What is the SMILES notation for N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide?
The canonical SMILES for N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide is O=C(CCCC(=O)NCC1CCC1)NCCN1C(=O)CSC1=O.
What is the InChIKey of N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide?
The InChIKey is CWVAWVICNSNUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c19-12(16-7-8-18-14(21)10-23-15(18)22)5-2-6-13(20)17-9-11-3-1-4-11/h11H,1-10H2,(H,16,19)(H,17,20).
What are the key properties of N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide?
N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide has a molecular weight of 341.43 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]pentanediamide is sourced from PubChem (CID 139516894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).