4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

C13H8N2O5S — CID 54730575

IUPAC4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C13H8N2O5S/c16-6-1-2-7-8(5-6)20-12(19)9(10(7)17)11(18)15-13-14-3-4-21-13/h1-5,16-17H,(H,14,15,18)
InChIKeyARNIQMGKYVNQRG-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.91
Rot. Bonds2

About 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 54730575) has the molecular formula C13H8N2O5S and a molecular weight of 304.28 g/mol. Its IUPAC name is 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID54730575
Molecular FormulaC13H8N2O5S
Molecular Weight304.28 g/mol
Exact Mass304.02
IUPAC Name4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(O)c2ccc(O)cc2oc1=O
InChIInChI=1S/C13H8N2O5S/c16-6-1-2-7-8(5-6)20-12(19)9(10(7)17)11(18)15-13-14-3-4-21-13/h1-5,16-17H,(H,14,15,18)
InChIKeyARNIQMGKYVNQRG-UHFFFAOYSA-N
XLogP1.91
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 54730575) is 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1c(O)c2ccc(O)cc2oc1=O.
What is the InChIKey of 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is ARNIQMGKYVNQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O5S/c16-6-1-2-7-8(5-6)20-12(19)9(10(7)17)11(18)15-13-14-3-4-21-13/h1-5,16-17H,(H,14,15,18).
What are the key properties of 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 304.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 54730575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).