N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C20H20ClN3O3S — CID 3243139

IUPACN-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S/c21-14-7-9-16(10-8-14)22-18(26)13-17-19(27)24(11-4-12-25)20(28-17)23-15-5-2-1-3-6-15/h1-3,5-10,17,25H,4,11-13H2,(H,22,26)/b23-20-
InChIKeyBBXUUVYZDRJNCT-ATJXCDBQSA-N
MW417.92 g/mol
LogP3.68
Rot. Bonds7

About N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 3243139) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID3243139
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3S/c21-14-7-9-16(10-8-14)22-18(26)13-17-19(27)24(11-4-12-25)20(28-17)23-15-5-2-1-3-6-15/h1-3,5-10,17,25H,4,11-13H2,(H,22,26)/b23-20-
InChIKeyBBXUUVYZDRJNCT-ATJXCDBQSA-N
XLogP3.68
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 3243139) is N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is BBXUUVYZDRJNCT-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c21-14-7-9-16(10-8-14)22-18(26)13-17-19(27)24(11-4-12-25)20(28-17)23-15-5-2-1-3-6-15/h1-3,5-10,17,25H,4,11-13H2,(H,22,26)/b23-20-.
What are the key properties of N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 417.92 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(3-hydroxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 3243139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).