1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea

C19H25ClN4O2S — CID 154359157

IUPAC1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea
SMILESNC(=O)N(CCC1S/C(=N\C2CCCCCC2)NC1=O)c1ccccc1Cl
InChIInChI=1S/C19H25ClN4O2S/c20-14-9-5-6-10-15(14)24(18(21)26)12-11-16-17(25)23-19(27-16)22-13-7-3-1-2-4-8-13/h5-6,9-10,13,16H,1-4,7-8,11-12H2,(H2,21,26)(H,22,23,25)
InChIKeyMSEOVYSHFUMPDE-UHFFFAOYSA-N
MW408.96 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea

1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea (PubChem CID 154359157) has the molecular formula C19H25ClN4O2S and a molecular weight of 408.96 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea
PubChem CID154359157
Molecular FormulaC19H25ClN4O2S
Molecular Weight408.96 g/mol
Exact Mass408.14
IUPAC Name1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea
SMILESNC(=O)N(CCC1S/C(=N\C2CCCCCC2)NC1=O)c1ccccc1Cl
InChIInChI=1S/C19H25ClN4O2S/c20-14-9-5-6-10-15(14)24(18(21)26)12-11-16-17(25)23-19(27-16)22-13-7-3-1-2-4-8-13/h5-6,9-10,13,16H,1-4,7-8,11-12H2,(H2,21,26)(H,22,23,25)
InChIKeyMSEOVYSHFUMPDE-UHFFFAOYSA-N
XLogP3.93
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.96
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea (CID 154359157) is 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea is NC(=O)N(CCC1S/C(=N\C2CCCCCC2)NC1=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea?
The InChIKey is MSEOVYSHFUMPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2S/c20-14-9-5-6-10-15(14)24(18(21)26)12-11-16-17(25)23-19(27-16)22-13-7-3-1-2-4-8-13/h5-6,9-10,13,16H,1-4,7-8,11-12H2,(H2,21,26)(H,22,23,25).
What are the key properties of 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea?
1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea has a molecular weight of 408.96 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-[2-(2-cycloheptylimino-4-oxo-1,3-thiazolidin-5-yl)ethyl]urea is sourced from PubChem (CID 154359157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).