5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C16H19NO3S — CID 12944221

IUPAC5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCC3CCCC3)cc2)S1
InChIInChI=1S/C16H19NO3S/c18-15-14(21-16(19)17-15)9-11-5-7-13(8-6-11)20-10-12-3-1-2-4-12/h5-8,12,14H,1-4,9-10H2,(H,17,18,19)
InChIKeyMFICRFARTXFUFQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.15
Rot. Bonds5

About 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 12944221) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID12944221
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCC3CCCC3)cc2)S1
InChIInChI=1S/C16H19NO3S/c18-15-14(21-16(19)17-15)9-11-5-7-13(8-6-11)20-10-12-3-1-2-4-12/h5-8,12,14H,1-4,9-10H2,(H,17,18,19)
InChIKeyMFICRFARTXFUFQ-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 12944221) is 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCC3CCCC3)cc2)S1.
What is the InChIKey of 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is MFICRFARTXFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c18-15-14(21-16(19)17-15)9-11-5-7-13(8-6-11)20-10-12-3-1-2-4-12/h5-8,12,14H,1-4,9-10H2,(H,17,18,19).
What are the key properties of 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 305.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).