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

C14H21N3O4S — CID 167261325

IUPACN'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H21N3O4S/c18-11(5-6-12(19)16-10-3-1-2-4-10)15-7-8-17-13(20)9-22-14(17)21/h10H,1-9H2,(H,15,18)(H,16,19)
InChIKeyNAFFWZGLNHVMRL-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.64
Rot. Bonds7

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

N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide (PubChem CID 167261325) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide
PubChem CID167261325
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H21N3O4S/c18-11(5-6-12(19)16-10-3-1-2-4-10)15-7-8-17-13(20)9-22-14(17)21/h10H,1-9H2,(H,15,18)(H,16,19)
InChIKeyNAFFWZGLNHVMRL-UHFFFAOYSA-N
XLogP0.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.64
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'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide?
The IUPAC name of N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide (CID 167261325) is N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide?
The canonical SMILES for N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide is O=C(CCC(=O)NC1CCCC1)NCCN1C(=O)CSC1=O.
What is the InChIKey of N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide?
The InChIKey is NAFFWZGLNHVMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c18-11(5-6-12(19)16-10-3-1-2-4-10)15-7-8-17-13(20)9-22-14(17)21/h10H,1-9H2,(H,15,18)(H,16,19).
What are the key properties of N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide?
N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide has a molecular weight of 327.41 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]butanediamide is sourced from PubChem (CID 167261325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).