3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one

C19H15NO3S — CID 3123269

IUPAC3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCSC1c1ccccc1
InChIInChI=1S/C19H15NO3S/c21-17(15-12-14-8-4-5-9-16(14)23-19(15)22)20-10-11-24-18(20)13-6-2-1-3-7-13/h1-9,12,18H,10-11H2
InChIKeyBVNNZVQFZGFQFD-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.68
Rot. Bonds2

About 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one

3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one (PubChem CID 3123269) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one
PubChem CID3123269
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCSC1c1ccccc1
InChIInChI=1S/C19H15NO3S/c21-17(15-12-14-8-4-5-9-16(14)23-19(15)22)20-10-11-24-18(20)13-6-2-1-3-7-13/h1-9,12,18H,10-11H2
InChIKeyBVNNZVQFZGFQFD-UHFFFAOYSA-N
XLogP3.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one?
The IUPAC name of 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one (CID 3123269) is 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one?
The canonical SMILES for 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCSC1c1ccccc1.
What is the InChIKey of 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one?
The InChIKey is BVNNZVQFZGFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S/c21-17(15-12-14-8-4-5-9-16(14)23-19(15)22)20-10-11-24-18(20)13-6-2-1-3-7-13/h1-9,12,18H,10-11H2.
What are the key properties of 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one?
3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one has a molecular weight of 337.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-thiazolidine-3-carbonyl)chromen-2-one is sourced from PubChem (CID 3123269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).