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

C14H10N2O4S — CID 3123869

IUPAC6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3nccs3)cc2c1
InChIInChI=1S/C14H10N2O4S/c1-19-9-2-3-11-8(6-9)7-10(13(18)20-11)12(17)16-14-15-4-5-21-14/h2-7H,1H3,(H,15,16,17)
InChIKeyCMOAIYWFNKRKBH-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.51
Rot. Bonds3

About 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide

6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (PubChem CID 3123869) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
PubChem CID3123869
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)Nc3nccs3)cc2c1
InChIInChI=1S/C14H10N2O4S/c1-19-9-2-3-11-8(6-9)7-10(13(18)20-11)12(17)16-14-15-4-5-21-14/h2-7H,1H3,(H,15,16,17)
InChIKeyCMOAIYWFNKRKBH-UHFFFAOYSA-N
XLogP2.51
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide (CID 3123869) is 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)Nc3nccs3)cc2c1.
What is the InChIKey of 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
The InChIKey is CMOAIYWFNKRKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c1-19-9-2-3-11-8(6-9)7-10(13(18)20-11)12(17)16-14-15-4-5-21-14/h2-7H,1H3,(H,15,16,17).
What are the key properties of 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide?
6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 3123869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).