N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide

C13H20N4O4S — CID 167261004

IUPACN-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCCN1C(=O)CSC1=O)NC1CCC1
InChIInChI=1S/C13H20N4O4S/c18-10(16-9-2-1-3-9)4-5-14-12(20)15-6-7-17-11(19)8-22-13(17)21/h9H,1-8H2,(H,16,18)(H2,14,15,20)
InChIKeyOOXRZISALZBYLA-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.04
Rot. Bonds7

About N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide

N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide (PubChem CID 167261004) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
PubChem CID167261004
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCCN1C(=O)CSC1=O)NC1CCC1
InChIInChI=1S/C13H20N4O4S/c18-10(16-9-2-1-3-9)4-5-14-12(20)15-6-7-17-11(19)8-22-13(17)21/h9H,1-8H2,(H,16,18)(H2,14,15,20)
InChIKeyOOXRZISALZBYLA-UHFFFAOYSA-N
XLogP0.04
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide
CID 108814531
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]prop-2-ynamide
CID 130774842
2-cyano-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 22689011
1-[(4-chlorophenoxy)methyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108885364
N-cyclooctyl-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 27667405
3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 63573915
1-[3-(2,6-dimethylphenoxy)propyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108881837
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-ethylacetamide
CID 167261153
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506369
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526310

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
The IUPAC name of N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide (CID 167261004) is N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
The canonical SMILES for N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide is O=C(CCNC(=O)NCCN1C(=O)CSC1=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
The InChIKey is OOXRZISALZBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c18-10(16-9-2-1-3-9)4-5-14-12(20)15-6-7-17-11(19)8-22-13(17)21/h9H,1-8H2,(H,16,18)(H2,14,15,20).
What are the key properties of N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide has a molecular weight of 328.39 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 167261004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).