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

C14H22N4O4S — CID 167261009

IUPACN-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCCN1C(=O)CSC1=O)NCC1CCC1
InChIInChI=1S/C14H22N4O4S/c19-11(17-8-10-2-1-3-10)4-5-15-13(21)16-6-7-18-12(20)9-23-14(18)22/h10H,1-9H2,(H,17,19)(H2,15,16,21)
InChIKeyFNQAFTJBHDVPBZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.29
Rot. Bonds8

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

N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide (PubChem CID 167261009) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
PubChem CID167261009
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC NameN-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCCN1C(=O)CSC1=O)NCC1CCC1
InChIInChI=1S/C14H22N4O4S/c19-11(17-8-10-2-1-3-10)4-5-15-13(21)16-6-7-18-12(20)9-23-14(18)22/h10H,1-9H2,(H,17,19)(H2,15,16,21)
InChIKeyFNQAFTJBHDVPBZ-UHFFFAOYSA-N
XLogP0.29
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.29
H-Bond Donors ≤ 53
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)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide (CID 167261009) is N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide is O=C(CCNC(=O)NCCN1C(=O)CSC1=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
The InChIKey is FNQAFTJBHDVPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c19-11(17-8-10-2-1-3-10)4-5-15-13(21)16-6-7-18-12(20)9-23-14(18)22/h10H,1-9H2,(H,17,19)(H2,15,16,21).
What are the key properties of N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide?
N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide has a molecular weight of 342.42 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 167261009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).