2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one

C15H14N2O3S — CID 44586624

IUPAC2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CS/C1=N/c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H14N2O3S/c1-2-7-17-13(18)9-21-15(17)16-11-4-5-12-10(8-11)3-6-14(19)20-12/h3-6,8H,2,7,9H2,1H3/b16-15+
InChIKeyFLIOOWOCDZCFQC-FOCLMDBBSA-N
MW302.36 g/mol
LogP2.77
Rot. Bonds3

About 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one

2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one (PubChem CID 44586624) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one
PubChem CID44586624
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)CS/C1=N/c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H14N2O3S/c1-2-7-17-13(18)9-21-15(17)16-11-4-5-12-10(8-11)3-6-14(19)20-12/h3-6,8H,2,7,9H2,1H3/b16-15+
InChIKeyFLIOOWOCDZCFQC-FOCLMDBBSA-N
XLogP2.77
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one (CID 44586624) is 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)CS/C1=N/c1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one?
The InChIKey is FLIOOWOCDZCFQC-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-2-7-17-13(18)9-21-15(17)16-11-4-5-12-10(8-11)3-6-14(19)20-12/h3-6,8H,2,7,9H2,1H3/b16-15+.
What are the key properties of 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one?
2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 302.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-6-yl)imino-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 44586624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).