3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one

C20H17NO4S — CID 2847121

IUPAC3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
SMILESCOc1ccc(C2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H17NO4S/c1-24-15-8-6-13(7-9-15)19-21(10-11-26-19)18(22)16-12-14-4-2-3-5-17(14)25-20(16)23/h2-9,12,19H,10-11H2,1H3
InChIKeyWFGRXVUTGXKETJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.69
Rot. Bonds3

About 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one

3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one (PubChem CID 2847121) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
PubChem CID2847121
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
SMILESCOc1ccc(C2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H17NO4S/c1-24-15-8-6-13(7-9-15)19-21(10-11-26-19)18(22)16-12-14-4-2-3-5-17(14)25-20(16)23/h2-9,12,19H,10-11H2,1H3
InChIKeyWFGRXVUTGXKETJ-UHFFFAOYSA-N
XLogP3.69
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one (CID 2847121) is 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one is COc1ccc(C2SCCN2C(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
The InChIKey is WFGRXVUTGXKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-15-8-6-13(7-9-15)19-21(10-11-26-19)18(22)16-12-14-4-2-3-5-17(14)25-20(16)23/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one?
3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one has a molecular weight of 367.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one is sourced from PubChem (CID 2847121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).