2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide

C21H24ClN3O2S — CID 135462037

IUPAC2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide
SMILESO=C(NCCC1S/C(=N/C23CC4CC(CC2C4)C3)NC1=O)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O2S/c22-16-4-2-1-3-15(16)18(26)23-6-5-17-19(27)24-20(28-17)25-21-10-12-7-13(11-21)9-14(21)8-12/h1-4,12-14,17H,5-11H2,(H,23,26)(H,24,25,27)
InChIKeyULUPFSJZKHBAIO-UHFFFAOYSA-N
MW417.96 g/mol
LogP3.63
Rot. Bonds5

About 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide

2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide (PubChem CID 135462037) has the molecular formula C21H24ClN3O2S and a molecular weight of 417.96 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide
PubChem CID135462037
Molecular FormulaC21H24ClN3O2S
Molecular Weight417.96 g/mol
Exact Mass417.13
IUPAC Name2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide
SMILESO=C(NCCC1S/C(=N/C23CC4CC(CC2C4)C3)NC1=O)c1ccccc1Cl
InChIInChI=1S/C21H24ClN3O2S/c22-16-4-2-1-3-15(16)18(26)23-6-5-17-19(27)24-20(28-17)25-21-10-12-7-13(11-21)9-14(21)8-12/h1-4,12-14,17H,5-11H2,(H,23,26)(H,24,25,27)
InChIKeyULUPFSJZKHBAIO-UHFFFAOYSA-N
XLogP3.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 53.63
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

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CID 97128970
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2-[(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135851847
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-2,4-dichlorobenzamide
CID 108571535
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-(2-chlorophenyl)-2-[(5S)-2-cyclopropylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
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CID 23968567
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2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide (CID 135462037) is 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide is O=C(NCCC1S/C(=N/C23CC4CC(CC2C4)C3)NC1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide?
The InChIKey is ULUPFSJZKHBAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S/c22-16-4-2-1-3-15(16)18(26)23-6-5-17-19(27)24-20(28-17)25-21-10-12-7-13(11-21)9-14(21)8-12/h1-4,12-14,17H,5-11H2,(H,23,26)(H,24,25,27).
What are the key properties of 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide?
2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide has a molecular weight of 417.96 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-oxo-2-(3-tricyclo[3.3.1.03,7]nonanylimino)-1,3-thiazolidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 135462037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).