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

C13H8N2O3S — CID 4525826

IUPAC4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C13H8N2O3S/c16-9-7-11(12(17)15-13-14-5-6-19-13)18-10-4-2-1-3-8(9)10/h1-7H,(H,14,15,17)
InChIKeyZXWKRAGSHKMURW-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.50
Rot. Bonds2

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

4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide (PubChem CID 4525826) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide
PubChem CID4525826
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C13H8N2O3S/c16-9-7-11(12(17)15-13-14-5-6-19-13)18-10-4-2-1-3-8(9)10/h1-7H,(H,14,15,17)
InChIKeyZXWKRAGSHKMURW-UHFFFAOYSA-N
XLogP2.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide (CID 4525826) is 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide is O=C(Nc1nccs1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide?
The InChIKey is ZXWKRAGSHKMURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-9-7-11(12(17)15-13-14-5-6-19-13)18-10-4-2-1-3-8(9)10/h1-7H,(H,14,15,17).
What are the key properties of 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide?
4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,3-thiazol-2-yl)chromene-2-carboxamide is sourced from PubChem (CID 4525826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).