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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Related Compounds

N-(2-chlorophenyl)-2-[(5S)-2-cyclopropylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135725249
(5S)-2-cycloheptylimino-5-(cyclohexylmethyl)-1,3-thiazolidin-4-one
CID 135481730
2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
CID 135989626
N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
CID 145182174
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 135745346
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 135673147
2-cycloheptylimino-5-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135989290
2-[(5S)-2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethoxyphenyl)acetamide
CID 135673145
(5E)-5-[(2-chlorophenyl)methylidene]-2-cyclopentylimino-1,3-thiazolidin-4-one
CID 136857975
2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 135519511
2-[(5S)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(5R)-2-(2-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 136715850
2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide
CID 135462037

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).