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

C13H8N2O3S — CID 4589607

IUPAC2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H8N2O3S/c16-11(15-13-14-5-6-19-13)9-7-8-3-1-2-4-10(8)18-12(9)17/h1-7H,(H,14,15,16)
InChIKeyBFAXNMLIKPXYEQ-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.50
Rot. Bonds2

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

2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 4589607) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID4589607
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESO=C(Nc1nccs1)c1cc2ccccc2oc1=O
InChIInChI=1S/C13H8N2O3S/c16-11(15-13-14-5-6-19-13)9-7-8-3-1-2-4-10(8)18-12(9)17/h1-7H,(H,14,15,16)
InChIKeyBFAXNMLIKPXYEQ-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

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-oxo-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 780578
8-methoxy-N-(1,3-thiazol-2-yl)-2H-chromene-3-carboxamide
CID 1478778
2-((2-oxo-2H-chromen-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 8071374
2-(Acetyloxy)-N-(5-chloro-2-thiazolyl)benzamide
CID 53309690
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3235723
(2E)-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 824523
Benzamide, 2-(acetyloxy)-N-(5-bromo-2-thiazolyl)-
CID 11609814
2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2787065
N-Thiazol-2-yl-4-o-tolyloxy-butyramide
CID 655321
4-oxo-N-(thiazol-2-yl)-4H-chromene-2-carboxamide
CID 4525826
[3-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]phenyl] acetate
CID 145964172

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 4589607) is 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is O=C(Nc1nccs1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is BFAXNMLIKPXYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-11(15-13-14-5-6-19-13)9-7-8-3-1-2-4-10(8)18-12(9)17/h1-7H,(H,14,15,16).
What are the key properties of 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
2-oxo-N-(1,3-thiazol-2-yl)chromene-3-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 2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 4589607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).