2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C24H24N4O2S2 — CID 135519511

IUPAC2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CC4S/C(=N/C5CCCC5)NC4=O)cc3)sc2c1
InChIInChI=1S/C24H24N4O2S2/c1-14-6-11-18-19(12-14)31-23(27-18)15-7-9-17(10-8-15)25-21(29)13-20-22(30)28-24(32-20)26-16-4-2-3-5-16/h6-12,16,20H,2-5,13H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyMZDHZFOAYBNPCQ-UHFFFAOYSA-N
MW464.62 g/mol
LogP5.13
Rot. Bonds5

About 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 135519511) has the molecular formula C24H24N4O2S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID135519511
Molecular FormulaC24H24N4O2S2
Molecular Weight464.62 g/mol
Exact Mass464.13
IUPAC Name2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)CC4S/C(=N/C5CCCC5)NC4=O)cc3)sc2c1
InChIInChI=1S/C24H24N4O2S2/c1-14-6-11-18-19(12-14)31-23(27-18)15-7-9-17(10-8-15)25-21(29)13-20-22(30)28-24(32-20)26-16-4-2-3-5-16/h6-12,16,20H,2-5,13H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyMZDHZFOAYBNPCQ-UHFFFAOYSA-N
XLogP5.13
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 135519511) is 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)CC4S/C(=N/C5CCCC5)NC4=O)cc3)sc2c1.
What is the InChIKey of 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is MZDHZFOAYBNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S2/c1-14-6-11-18-19(12-14)31-23(27-18)15-7-9-17(10-8-15)25-21(29)13-20-22(30)28-24(32-20)26-16-4-2-3-5-16/h6-12,16,20H,2-5,13H2,1H3,(H,25,29)(H,26,28,30).
What are the key properties of 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 464.62 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 135519511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).