1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C17H21N3O4S — CID 86994509

IUPAC1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)o1
InChIInChI=1S/C17H21N3O4S/c1-12-7-8-16(24-12)13(2)18-17(21)19-14-5-3-6-15(11-14)20-9-4-10-25(20,22)23/h3,5-8,11,13H,4,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyNMMOEPTZCNDJMC-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.01
Rot. Bonds4

About 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 86994509) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID86994509
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)o1
InChIInChI=1S/C17H21N3O4S/c1-12-7-8-16(24-12)13(2)18-17(21)19-14-5-3-6-15(11-14)20-9-4-10-25(20,22)23/h3,5-8,11,13H,4,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyNMMOEPTZCNDJMC-UHFFFAOYSA-N
XLogP3.01
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea with MolForge

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Related Compounds

(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94686442
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methylphenyl)urea
CID 30375013
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propane-2-sulfonamide
CID 7635594
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-fluorophenyl)butanamide
CID 110312880
3-(4-chlorophenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methylpropanamide
CID 110302278
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86830727
3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 86994510
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]urea
CID 78879918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 86994509) is 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)NC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)o1.
What is the InChIKey of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is NMMOEPTZCNDJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-12-7-8-16(24-12)13(2)18-17(21)19-14-5-3-6-15(11-14)20-9-4-10-25(20,22)23/h3,5-8,11,13H,4,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 363.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 86994509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).