2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide

C14H12N2O3S — CID 2962296

IUPAC2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1CC(=O)Oc2ccccc21)Nc1nccs1
InChIInChI=1S/C14H12N2O3S/c17-12(16-14-15-5-6-20-14)7-9-8-13(18)19-11-4-2-1-3-10(9)11/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyGIQYQFSLDKGVLY-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2962296) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2962296
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC1CC(=O)Oc2ccccc21)Nc1nccs1
InChIInChI=1S/C14H12N2O3S/c17-12(16-14-15-5-6-20-14)7-9-8-13(18)19-11-4-2-1-3-10(9)11/h1-6,9H,7-8H2,(H,15,16,17)
InChIKeyGIQYQFSLDKGVLY-UHFFFAOYSA-N
XLogP2.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 2962296) is 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1CC(=O)Oc2ccccc21)Nc1nccs1.
What is the InChIKey of 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GIQYQFSLDKGVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-12(16-14-15-5-6-20-14)7-9-8-13(18)19-11-4-2-1-3-10(9)11/h1-6,9H,7-8H2,(H,15,16,17).
What are the key properties of 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 288.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,4-dihydrochromen-4-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2962296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).