1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea

C14H14ClN3O3S — CID 108908585

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H14ClN3O3S/c15-11-3-1-10(2-4-11)5-6-16-13(20)17-7-8-18-12(19)9-22-14(18)21/h1-6H,7-9H2,(H2,16,17,20)/b6-5+
InChIKeyUXWBFURZUIYDSX-AATRIKPKSA-N
MW339.80 g/mol
LogP2.31
Rot. Bonds5

About 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea (PubChem CID 108908585) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
PubChem CID108908585
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)NCCN1C(=O)CSC1=O
InChIInChI=1S/C14H14ClN3O3S/c15-11-3-1-10(2-4-11)5-6-16-13(20)17-7-8-18-12(19)9-22-14(18)21/h1-6H,7-9H2,(H2,16,17,20)/b6-5+
InChIKeyUXWBFURZUIYDSX-AATRIKPKSA-N
XLogP2.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905609
1-[(4-chlorophenoxy)methyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108885364
N'-[(4-chlorophenyl)methyl]-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108507812
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913360
5-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]furan-2-carboxamide
CID 103622962
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767169
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878680
1-(4-tert-butylphenyl)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea
CID 108884898
2-(3,4-dichlorophenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 52717864
N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108524156
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108908555

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea (CID 108908585) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea is O=C(N/C=C/c1ccc(Cl)cc1)NCCN1C(=O)CSC1=O.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea?
The InChIKey is UXWBFURZUIYDSX-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-11-3-1-10(2-4-11)5-6-16-13(20)17-7-8-18-12(19)9-22-14(18)21/h1-6H,7-9H2,(H2,16,17,20)/b6-5+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea has a molecular weight of 339.80 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]urea is sourced from PubChem (CID 108908585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).