N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C17H20ClN3O2S — CID 135535520

IUPACN-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/C3CCCC3)NC2=O)cc1Cl
InChIInChI=1S/C17H20ClN3O2S/c1-10-6-7-12(8-13(10)18)19-15(22)9-14-16(23)21-17(24-14)20-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeySFWMSHGLBZCSOV-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 135535520) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
PubChem CID135535520
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
SMILESCc1ccc(NC(=O)CC2S/C(=N/C3CCCC3)NC2=O)cc1Cl
InChIInChI=1S/C17H20ClN3O2S/c1-10-6-7-12(8-13(10)18)19-15(22)9-14-16(23)21-17(24-14)20-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3,(H,19,22)(H,20,21,23)
InChIKeySFWMSHGLBZCSOV-UHFFFAOYSA-N
XLogP3.51
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.51
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 N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 135535520) is N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is Cc1ccc(NC(=O)CC2S/C(=N/C3CCCC3)NC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is SFWMSHGLBZCSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-10-6-7-12(8-13(10)18)19-15(22)9-14-16(23)21-17(24-14)20-11-4-2-3-5-11/h6-8,11,14H,2-5,9H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 365.89 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 135535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).